Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00388181
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
H7J | N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT- 3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}- 1,2-DIMETHYLPROPYL]BENZAMIDE | A,B,C | 2HXZ | 0.75 | |
H7J | N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT- 3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}- 1,2-DIMETHYLPROPYL]BENZAMIDE | A,B | 2H7J | 0.75 | |
INP | 4-[[N-[(PHENYLMETHOXY)CARBONYL]- /NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4- (PYRIDINYLMETHOXY)CARBONYL]AMINO]- 4-METHYLPENT/NYL]-3-PYRROLIDINONE/N | A | 1AU4 | 0.71 | |
CM9 | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.79 | |
8ST | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 0.81 | |
MPY | (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4- (4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4- C]PYRAZOLE-5(3H)-CARBOXAMIDE | A,B,C,D,E,F | 2BMC | 0.75 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.7 | |
FXN | 5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID- (2-MERCAPTO-ETHYL)-AMIDE | A,B | 1SHL | 0.77 | |
IHZ | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.83 | |
NC5 | 3-[(2R)-2-ethylpiperidin-1-yl]- N-[6-({3-[(2S)-2-ethylpiperidin- 1-yl]propanoyl}amino)acridin-3- yl]propanamide | A,B,C,D | 3EUI | 0.71 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.71 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.71 | |
DZF | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.71 | |
288 | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL- (2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}- AMIDE | A,B | 1XOI | 0.72 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5Q | 0.71 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1EXV | 0.71 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5S | 0.71 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L7X | 0.71 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5R | 0.71 | |
PY3 | 5-[AMINO(IMINO)METHYL]-2-[({[6- [3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]- 3-(ISOPROPYLAMINO)-2-OXOPYRAZIN- 1(2H)-YL]ACETYL}AMINO)METHYL]-N- PYRIDIN-4-YLBENZAMIDE | H,L | 1Z6J | 0.81 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN2 | 0.79 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN1 | 0.79 | |
DRC | 9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]- 4-ACRIDINECARBOXAMIDE | A | 1KCI | 0.76 | |
411 | 3-bromo-N-[4-[1-(2-carbamimidamido- 2-oxo-ethyl)-5-phenyl-pyrrol-2- yl]phenyl]benzamide | A | 2ZE1 | 0.75 | |
7MP | 7-AMINO-1-METHYL-3-(2-METHYL-5- {[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)- 2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN- 1-IUM | A,B | 2HIW | 0.74 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.87 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.87 | |
P4O | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)- 1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | A | 2JBO | 0.77 | |
P4O | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)- 1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | A,B,C,D,E,F, G,H,I,K,L | 2JBP | 0.77 | |
IAD | N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID | A,B | 1K3U | 0.7 | |
PYN | 3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN- 1-YL-PROPIONYLAMINO)-ACRIDIN-3- YL]-PROPIONAMIDE | A,B | 1L1H | 0.71 | |
1PU | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GII | 0.74 | |
1PU | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GIH | 0.74 | |
251 | N-[amino(imino)methyl]-2-(2,5-diphenyl- 1H-pyrrol-1-yl)acetamide | A | 2QU2 | 0.73 | |
4QC | 3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL- 4-YL}-7-OXO-3-(TRIFLUOROMETHYL)- 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4- C]PYRIDIN-1-YL]BENZAMIDE | A | 2G00 | 0.74 | |
NCJ | 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine | A,B | 3ERU | 0.71 | |
BI4 | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN- 2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE- 2,5-DIONE | A,B | 1SZM | 0.72 | |
C19 | 3-(2-aminoquinazolin-6-yl)-1-(3,3- dimethylindolin-6-yl)-4-methylpyridin- 2(1H)-one | A,B | 3CP9 | 0.71 | |
IID | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.71 | |
DA5 | 5-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 367D | 0.72 | |
FOL | FOLIC ACID | A | 1PJ6 | 0.71 | |
FOL | FOLIC ACID | A,B | 1RD7 | 0.71 | |
FOL | FOLIC ACID | A,B | 1DHF | 0.71 | |
FOL | FOLIC ACID | A,B,C,D,E | 1QZF | 0.71 | |
FOL | FOLIC ACID | A | 4CD2 | 0.71 | |
FOL | FOLIC ACID | A | 1RX7 | 0.71 | |
FOL | FOLIC ACID | A | 1RX2 | 0.71 | |
FOL | FOLIC ACID | A | 1RX8 | 0.71 | |
FOL | FOLIC ACID | A | 1RA2 | 0.71 | |
FOL | FOLIC ACID | A,B | 1RE7 | 0.71 | |
FOL | FOLIC ACID | A | 7DFR | 0.71 | |
FOL | FOLIC ACID | A | 1VIF | 0.71 | |
FOL | FOLIC ACID | A,B | 1RB2 | 0.71 | |
FOL | FOLIC ACID | A | 1CD2 | 0.71 | |
FOL | FOLIC ACID | A | 2CD2 | 0.71 | |
FOL | FOLIC ACID | A,B | 1DYI | 0.71 | |
FOL | FOLIC ACID | A | 1DRF | 0.71 | |
FOL | FOLIC ACID | A,B,C,D | 3BMC | 0.71 | |
FOL | FOLIC ACID | A,B | 2D0K | 0.71 | |
FOL | FOLIC ACID | A | 1RA8 | 0.71 | |
BI2 | 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)- 1-METHYLPYRROLIDINYL]ETHYL}-1H- INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | A | 1UU7 | 0.72 | |
NA9 | N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE | H,P | 2A2X | 0.81 | |
1N8 | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[2-(METHYLAMINO)QUINAZOLIN-6- YL]BENZAMIDE | A,B | 2OG8 | 0.76 | |
AT6 | N-[2-(6-AMINO-4-METHYLPYRIDIN-2- YL)ETHYL]-4-CYANOBENZAMIDE | A,B | 3E68 | 0.75 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH4 | 0.73 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH9 | 0.73 | |
SBR | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF7 | 0.76 | |
AYM | 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL- N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE | A,B | 1LXC | 0.74 | |
A1E | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLAMINO)DECYL]AMINO}-5,6,7,8- TETRAHYDROQUINOLIN-2(1H)-ONE | A | 1ZGB | 0.72 | |
AGE | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.79 | |
LI9 | 4-(4-FLUOROPHENYL)-1-METHYL-5-(2- {[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN- 4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO- 3H-PYRAZOL-3-ONE | A | 1YWR | 0.79 | |
JNK | N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'- BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE | X | 2EXC | 0.7 | |
B49 | N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-2-oxo-1,2-dihydro-3H- indol-3-ylidene)methyl]-2,4-dimethyl- 1H-pyrrole-3-carboxamide | A,B | 3G0F | 0.77 | |
B49 | N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-2-oxo-1,2-dihydro-3H- indol-3-ylidene)methyl]-2,4-dimethyl- 1H-pyrrole-3-carboxamide | A | 3G0E | 0.77 | |
CC3 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN- 2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | A | 2NP8 | 0.72 | |
LZA | {[(2,6-difluorophenyl)carbonyl]amino}- N-piperidin-4-yl-1H-pyrazole-3- carboxamide | A | 2VTQ | 0.75 | |
P5C | 2-{[(1R,2S)-2-aminocyclohexyl]amino}- 4-[(3-methylphenyl)amino]pyrimidine- 5-carboxamide | A | 3FQE | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.73 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.74 | |
NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.74 | |
NCA | NICOTINAMIDE | A,B | 1DMA | 0.74 | |
NCA | NICOTINAMIDE | A,B | 1ISM | 0.74 | |
NCA | NICOTINAMIDE | A,B | 1YC5 | 0.74 | |
NCA | NICOTINAMIDE | A | 2ZB7 | 0.74 | |
NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.74 | |
NCA | NICOTINAMIDE | A,B | 2QQG | 0.74 | |
NCA | NICOTINAMIDE | A | 2OTV | 0.74 | |
NCA | NICOTINAMIDE | A | 2QHF | 0.74 | |
NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.74 | |
NCA | NICOTINAMIDE | A,B | 2HJH | 0.74 | |
NCA | NICOTINAMIDE | A | 2A15 | 0.74 | |
NCA | NICOTINAMIDE | A | 2R6V | 0.74 | |
NCA | NICOTINAMIDE | A,B | 1ISI | 0.74 | |
NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.74 | |
NCA | NICOTINAMIDE | A | 2H4J | 0.74 | |
NCA | NICOTINAMIDE | A,B | 2OD9 | 0.74 | |
NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.74 | |
NCA | NICOTINAMIDE | A,B | 3DZG | 0.74 | |
NCA | NICOTINAMIDE | A | 1OJU | 0.74 | |
IQZ | (12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3- a]quinolizin-7(6H)-one | A | 1S1J | 0.73 | |
RRS | N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO- 1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA- 12(19),13,15,17-TETRAEN-10-YL)- SUCCINAMIDE | A | 1MMQ | 0.76 | |
XXZ | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 0.72 | |
14C | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C06 | 0.72 | |
14C | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C0A | 0.72 | |
T42 | MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID | H,I | 1AI8 | 0.81 | |
311 | (3,3-dimethylpiperidin-1-yl)(6- (3-fluoro-4-methylphenyl)pyridin- 2-yl)methanone | A,B,D,E | 3CH6 | 0.85 | |
BO2 | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]- N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | 2,H,K,N,V,Y | 2F16 | 0.83 | |
LI3 | 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN- 4-YLBENZAMIDE | A | 1WBV | 0.8 | |
MB9 | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9- tetrahydrospiro[beta-carboline- 3,4'-piperidine]-4-carbonitrile | A | 3CY2 | 0.72 | |
XN1 | N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4- HYDROXY-2-(1-PHENYLETHYL)-PENTANAMIDE | A,B | 1K6T | 0.72 | |
82A | (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)- 2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJJ | 0.71 | |
A76 | N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY- 4-[3-METHYL-2-(3-METHYL-3-PYRIDIN- 2-YLMETHYL-UREIDO)-BUTYRYLAMINO]- 5-PHENYL-PENTYL}-3-METHYL-2-(3- METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)- BUTYRAMIDE | B | 1HVL | 0.75 | |
FXA | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)- 4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | A | 3CEN | 0.71 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,C | 1HSH | 0.72 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1SDU | 0.72 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B,C,D | 2R5P | 0.72 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 1HSG | 0.72 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1SDV | 0.72 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 2AVS | 0.72 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 2AVO | 0.72 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1SDT | 0.72 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B,D,E | 2AVV | 0.72 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 2B7Z | 0.72 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 1C6Y | 0.72 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 2BPX | 0.72 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1K6C | 0.72 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 1SGU | 0.72 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.75 | |
PYA | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.71 | |
RSS | 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA- 12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)- HEXANOIC ACID | A,B | 1MMP | 0.73 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.72 | |
TTR | 9-ACETYL-2,3,4,9-TETRAHYDRO-1H- CARBAZOL-1-ONE | A | 2D82 | 0.71 | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.71 | |
I11 | [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN- 4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | H | 1UVS | 0.71 | |
RAJ | N-{3-[3-(DIMETHYLAMINO)PROPYL]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE | X | 2OO8 | 0.77 | |
RAJ | N-{3-[3-(DIMETHYLAMINO)PROPYL]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE | A | 3BE2 | 0.77 | |
ZAM | 3-[(ACETYL-METHYL-AMINO)-METHYL]- 4-AMINO-N-METHYL-N-(1-METHYL-1H- INDOL-2-YLMETHYL)-BENZAMIDE | A,B | 1LX6 | 0.76 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 2DW0 | 0.75 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 2ERP | 0.75 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 2DW1 | 0.75 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B,D,E | 2E3X | 0.75 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 1PWU | 0.75 | |
LZD | 4-{[(2,6-difluorophenyl)carbonyl]amino}- N-[(3S)-piperidin-3-yl]-1H-pyrazole- 3-carboxamide | A | 2VTT | 0.75 | |
7AD | 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE | A,B | 1RQY | 0.79 | |
A79 | N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY- 4-[3-METHYL-2-(3-METHYL-3-PYRIDIN- 2-YLMETHYL-UREIDO)-BUTYRYLAMINO]- 5-PHENYL-PENTYL}-3-METHYL-2-(3- METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)- BUTYRAMIDE | A | 1HVC | 0.75 | |
A79 | N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY- 4-[3-METHYL-2-(3-METHYL-3-PYRIDIN- 2-YLMETHYL-UREIDO)-BUTYRYLAMINO]- 5-PHENYL-PENTYL}-3-METHYL-2-(3- METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)- BUTYRAMIDE | A | 1HVK | 0.75 | |
C92 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide | A,B | 3CPB | 0.78 | |
NCL | 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine | A,B | 3ET8 | 0.7 | |
A78 | N-{1-BENZYL-3-HYDROXY-4-[3-METHYL- 2-(3-METHYL-3-PYRIDIN-2-YLMETHYL- UREIDO)-BUTYRYLAMINO]-5-PHENYL- PENTYL}-3-METHYL-2-(3-METHYL-3- PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | A | 1HVJ | 0.74 | |
C24 | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.72 | |
PRC | N-[4-METHYL-3-[[4-(3-PYRIDINYL)- 2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE | A,B | 1FPU | 0.73 | |
406 | N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)- 4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN- 1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A,B | 2E2B | 0.76 | |
MIL | MILRINONE | A,B | 1TLM | 0.74 | |
CII | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.83 | |
553 | (7S)-2-(2-aminopyrimidin-4-yl)- 7-(2-fluoroethyl)-1,5,6,7-tetrahydro- 4H-pyrrolo[3,2-c]pyridin-4-one | A,B | 3DU8 | 0.72 | |
34Q | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.76 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A,B,C,D | 2HYY | 0.77 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A,B | 1IEP | 0.77 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A,B | 1OPJ | 0.77 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 1T46 | 0.77 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 3GVU | 0.77 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 2OIQ | 0.77 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 3FW1 | 0.77 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 2PL0 | 0.77 | |
STI | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)- N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN- 2-YLAMINO)-PHENYL]-BENZAMIDE | A | 1XBB | 0.77 | |
WAC | N-{3-[(12bS)-7-oxo-1,3,4,6,7,12b- hexahydroindolo[2,3-a]quinolizin- 12(2H)-yl]propyl}propane-2-sulfonamide | B | 1S1S | 0.71 | |
IAV | N-[1H-INDOL-3-YL-ACETYL]VALINE ACID | A,B | 1K7F | 0.72 | |
IAG | N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID | A,B | 1K8Z | 0.73 | |
IAG | N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID | A,B | 1K7E | 0.73 | |
2AZ | N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL- 5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1- F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]- 4-METHYLBENZAMIDE | A,B,D,E | 2GM1 | 0.77 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.79 | |
BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A,B | 2VD5 | 0.74 | |
BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UVR | 0.74 | |
DR7 | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)- 8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)- 6-[[4-(2-PYRIDINYL)PHENYL]METHYL]- 2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | B | 2AQU | 0.74 | |
DR7 | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)- 8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)- 6-[[4-(2-PYRIDINYL)PHENYL]METHYL]- 2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | A | 2FXD | 0.74 | |
DR7 | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)- 8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)- 6-[[4-(2-PYRIDINYL)PHENYL]METHYL]- 2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | A | 2O4K | 0.74 | |
DR7 | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)- 8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)- 6-[[4-(2-PYRIDINYL)PHENYL]METHYL]- 2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | A,B | 2FXE | 0.74 | |
NCQ | 3,6-Bis[3-(azepan-1-yl)propionamido]acridine | A,B | 3EUM | 0.71 | |
A1T | 5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL- 4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN- 4-YL]PYRIDINE-2-CARBOXAMIDE | A | 2IGX | 0.86 | |
B97 | (10R)-10-methyl-3-(6-methylpyridin- 3-yl)-9,10,11,12-tetrahydro-8H- [1,4]diazepino[5',6':4,5]thieno[3,2- f]quinolin-8-one | X | 3FYJ | 0.71 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1MTB | 0.72 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 2FGV | 0.72 | |
QNC | 2-CARBONYLQUINOLINE | I | 1IVQ | 0.72 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 2FGU | 0.72 | |
QNC | 2-CARBONYLQUINOLINE | A | 1JLD | 0.72 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1HXB | 0.72 | |
IIE | 1-{2-[(4-CHLOROPHENYL)AMINO]-2- OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN- 4-YL)-1H-INDOLE-2-CARBOXAMIDE | B | 2BQW | 0.78 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1XWS | 0.73 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | B | 2BIK | 0.73 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1ZRZ | 0.73 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | B | 2BIL | 0.73 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UU8 | 0.73 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.77 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.77 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.77 | |
IDN | (E)-N-METHYL-N-(1-METHYL-1H-INDOL- 3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO- [1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE | A,B | 1MFP | 0.72 | |
OQB | 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-METHYL}-PYRIDINE- 3-CARBONYL)-AMINO]-BUTYRIC ACID | A | 1RWW | 0.73 | |
45B | 4-{[2-({4-[2-(4-acetylpiperazin- 1-yl)-2-oxoethyl]phenyl}amino)- 5-fluoropyrimidin-4-yl]amino}-N- (2-chlorophenyl)benzamide | A,B,C | 3H0Z | 0.74 | |
FXV | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | A | 1KSN | 0.78 | |
GGW | methyl [(1S,4S,5S,7S,10S)-4-benzyl- 1,10-di-tert-butyl-5-hydroxy-2,9,12- trioxo-7-(4-pyridin-2-ylbenzyl)- 13-oxa-3,8,11-triazatetradec-1- yl]carbamate | H | 3GGA | 0.76 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.72 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.72 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.72 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.72 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.72 | |
793 | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.77 | |
D3E | N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide | A,B,C,D | 3D3E | 0.76 | |
R55 | N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN- 1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH8 | 0.71 | |
C52 | 3-(2-aminoquinazolin-6-yl)-4-methyl- 1-[3-(trifluoromethyl)phenyl]pyridin- 2(1H)-one | A,B | 3CPC | 0.73 | |
NCK | 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine | A,B | 3ES0 | 0.7 | |
CNQ | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.76 | |
L17 | L17 | A,B | 1Z71 | 0.73 | |
C48 | N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE | A | 1CVZ | 0.86 | |
R96 | N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN- 1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH7 | 0.71 | |
I3A | 1H-INDOLE-3-CARBALDEHYDE | A,B,C,D | 3BWL | 0.72 | |
I3A | 1H-INDOLE-3-CARBALDEHYDE | A,B | 2OU3 | 0.72 | |
G44 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.76 | |
97B | 9-chloro-7-(2,6-difluorophenyl)- N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}- 5H-pyrimido[5,4-d][2]benzazepin- 2-amine | A,B,D | 3H10 | 0.72 | |
882 | (3R,5R)-7-[5-(ANILINOCARBONYL)- 3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL- 1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID | A,C,D | 2Q1L | 0.72 | |
882 | (3R,5R)-7-[5-(ANILINOCARBONYL)- 3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL- 1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID | A,C,D | 3CD7 | 0.72 | |
WBT | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1- (2-PYRIDIN-4-YLETHYL)-1H-INDOL- 6-YL]BENZAMIDE | A | 1WBT | 0.77 | |
SRS | 4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA- 12(19),13(18),15,17-TETRAENE-10- CARBAMOYL)PENTA-METHYLSULFONEDIIMINE | A | 1MMR | 0.76 | |
4PP | C,L | 1XKA | 0.72 | ||
4PP | A,B,C,D | 1XKB | 0.72 | ||
A2E | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLAMINO)DECYL]AMINO}-5,6,7,8- TETRAHYDROQUINOLIN-2(1H)-ONE | A,B | 1ZGC | 0.72 | |
P39 | 5-methyl-4-[(2-methyl-5-{[(3-morpholin- 4-ylphenyl)carbonyl]amino}phenyl)amino]- N-[(1S)-1-phenylethyl]pyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 3BV3 | 0.71 | |
33A | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OK1 | 0.74 | |
33A | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJI | 0.74 | |
A77 | N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY- 4-[3-METHYL-2-(3-METHYL-3-PYRIDIN- 2-YLMETHYL-UREIDO)-BUTYRYLAMINO]- 5-PHENYL-PENTYL}-3-METHYL-2-(3- METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)- BUTYRAMIDE | A | 1HVI | 0.75 | |
A77 | N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY- 4-[3-METHYL-2-(3-METHYL-3-PYRIDIN- 2-YLMETHYL-UREIDO)-BUTYRYLAMINO]- 5-PHENYL-PENTYL}-3-METHYL-2-(3- METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)- BUTYRAMIDE | A | 1HVS | 0.75 | |
CDD | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}- 2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE | B,C | 1MUE | 0.8 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.73 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.73 | |
N12 | N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]- 1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE | H,P | 2ANK | 0.8 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.7 | |
SPP | (1-(5-METHANSULPHONAMIDO-1H-INDOL- 2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE | A | 1KLM | 0.75 | |
TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | D,H | 2OJY | 0.73 | |
TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | A,D,H | 2OIZ | 0.73 | |
A85 | N-{1-BENZYL-2,2-DIFLUORO-3,3-DIHYDROXY- 4-[3-METHYL-2-(3-METHYL-3-PYRIDIN- 2-YLMETHYL-UREIDO)-BUTYRYLAMINO]- 5-PHENYL-PENTYL}-3-METHYL-2-(3- METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)- BUTYRAMIDE | A,B | 1DIF | 0.77 | |
BDC | BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1K2L | 0.76 | |
PM2 | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE | A,B,C,D | 2BM2 | 0.81 | |
P40 | N-cyclopropyl-4-methyl-3-{2-[(2- morpholin-4-ylethyl)amino]quinazolin- 6-yl}benzamide | A | 3DT1 | 0.73 | |
PF3 | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]- THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID | A,B | 1UTZ | 0.73 | |
XR2 | 1-METHYL-9-[12-(9-METHYLPHENAZIN- 10-IUM-1-YL)-12-OXO-2,11-DIAZA- 5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN- 10-IUM | A | 1X95 | 0.74 | |
LA1 | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4- (QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN- 1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE | A,B | 1XUO | 0.79 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2C3J | 0.73 | |
DBQ | DEBROMOHYMENIALDISINE | A,B | 1U4D | 0.73 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2CN8 | 0.73 | |
DBQ | DEBROMOHYMENIALDISINE | A | 1Z57 | 0.73 | |
MUH | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN- 2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A | 2OSC | 0.76 | |
SU1 | 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL- 2-YL)METHYLENE]-2-INDOLINONE | A,B | 1FGI | 0.71 | |
4QB | 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-HEXANOYLAMINO}-4- OXO-BUTYRIC ACID | A | 1RWN | 0.74 | |
J60 | 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]-N-[2- (DIETHYLAMINO)ETHYL]-2,4-DIMETHYL- 1H-PYRROLE-3-CARBOXAMIDE | A,B | 2JAM | 0.71 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMW | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3D1Y | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMY | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3CYX | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NNP | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | B | 1C6Z | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NNK | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A | 1FB7 | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMZ | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3D1X | 0.74 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 465D | 0.8 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 452D | 0.8 | |
DA6 | 6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 366D | 0.74 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.77 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.77 | |
CDA | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-6- PYRIDINYL)METHYL]ACETAMIDE | B,C | 1MU6 | 0.77 | |
CHI | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE | A | 1H5U | 0.75 | |
CHI | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE | A | 1C50 | 0.75 | |
CHI | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE | A | 1LWO | 0.75 | |
GGX | B,C,E,H | 3GGX | 0.72 | ||
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.72 | |
287 | 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}- 5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG6 | 0.76 | |
A17 | N-cyclopropyl-4-methyl-3-[1-(2- methylphenyl)phthalazin-6-yl]benzamide | A,B,C,D | 3DS6 | 0.72 | |
LIQ | N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)- 2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE | A | 2HM1 | 0.75 | |
JIN | 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO- 3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3- D]PYRIMIDIN-7(8H)-ONE | A,B | 2HZI | 0.7 | |
FRP | N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)- 5-METHYL-6-OXO-1-PHENYLHEXAN-2- YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | A,B,C | 2FDP | 0.73 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWH | 0.7 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWJ | 0.7 | |
PRR | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.72 | |
A2T | N-[1-(3-METHYLBUTYL)PIPERIDIN-4- YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}- 4-PENTYLBENZAMIDE | A,B | 2IGY | 0.81 | |
B14 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'- DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)- QUINAZOLINE]-4'-AMINE | A,B | 3E7T | 0.77 | |
GK6 | N-{4'-[(cyclopropylmethyl)carbamoyl]- 6-methylbiphenyl-3-yl}-2-morpholin- 4-ylpyridine-4-carboxamide | A | 3D83 | 0.74 | |
KAW | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-tryptophan | A | 3BKL | 0.74 | |
NCI | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B,C,D | 3EUI | 0.71 | |
NCI | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B | 3EQW | 0.71 | |
242 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL- N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2OFV | 0.74 | |
8IP | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.7 | |
CDO | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN- 3-YL)METHYLCARBAMOYL)-2H-PYRROL- 1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN- 2-YLAMINO)ACETIC ACID | H | 2ANM | 0.8 | |
LZ9 | {[(2,6-difluorophenyl)carbonyl]amino}- N-(4-fluorophenyl)-1H-pyrazole- 3-carboxamide | A | 2VTP | 0.73 | |
MYT | METYRAPONE | A | 1PHG | 0.72 | |
MYT | METYRAPONE | A | 1W0G | 0.72 | |
P10 | [1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER | A | 1ME3 | 0.74 | |
CDB | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-3- METHYL-6-PYRIDINYL)METHYL]ACETAMIDE | B,C | 1MU8 | 0.78 | |
SN6 | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM | A,B | 144D | 0.8 | |
NOW | Nalpha-[(3-tert-butyl-1-methyl- 1H-pyrazol-5-yl)carbonyl]-N-[(2Z)- 2-iminoethyl]-3-methyl-L-phenylalaninamide | A,B,C,D | 3HHA | 0.76 | |
163 | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-2-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1O0D | 0.79 | |
ZY0 | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]- 4-ETHYL-8-(2-OXO-2,3-DIHYDRO-1H- PYRROL-1-YL)QUINOLINE-6-CARBOXAMIDE | A | 2WF0 | 0.75 | |
R94 | N-(4-{[4-(2-HYDROXY-5-PIPERIDIN- 1-YLBENZOYL)BENZOYL]AMINO}AZEPAN- 3-YL)ISONICOTINAMIDE | A | 1XH6 | 0.72 | |
PB4 | N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUD | 0.8 | |
NIL | Nilotinib | A,B,C,D | 3CS9 | 0.76 | |
NIL | Nilotinib | A | 3GP0 | 0.76 | |
PB5 | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUR | 0.77 | |
517 | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA | A | 2PE1 | 0.74 | |
UI1 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-4-(PYRIMIDIN- 2-YLAMINO)-2-NAPHTHAMIDE | A | 1SQA | 0.72 | |
279 | N-ethyl-4-{[5-(methoxycarbamoyl)- 2-methylphenyl]amino}-5-methylpyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG5 | 0.74 | |
BD4 | 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4- C]CARBAZOLE-1,3(2H,6H)-DIONE | A | 1WVX | 0.71 | |
DAX | 5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]- 9-AMINOACRIDINE-4-CARBOXAMIDE | A | 1M69 | 0.72 | |
I04 | N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZOYLAMINO]- AZEPAN-3-YL}ISONICOTINAMIDE | A | 1SVG | 0.7 | |
TIT | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]- 3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)- L-VALYL]AMINO}PENTANOYL)-L-ALANYL- L-LEUCINAMIDE | A,B | 1W6H | 0.7 | |
A4C | 9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N- [2-(DIMETHYLAMINO)ETHYL]ACRIDINE- 4-CARBOXAMIDE} | A | 2GWA | 0.76 | |
A4C | 9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N- [2-(DIMETHYLAMINO)ETHYL]ACRIDINE- 4-CARBOXAMIDE} | A,B | 2GB9 | 0.76 | |
I10 | 1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO- 3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE | A | 1BGO | 0.72 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.72 | |
BMS | A,B | 1DKF | 0.71 | ||
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1S1X | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWE | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LW0 | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 2HND | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1FKP | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1S1U | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWF | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 2HNY | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1VRT | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWC | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1JLB | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 3HVT | 0.7 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1JLF | 0.7 | |
T19 | PHENYLMETHYLENECARBOXY-(METHYLENEAMINO- FORMYL-DIPHENYLMETHYL)METHY-PRO- BOROVAL | H,I | 1AIX | 0.77 | |
162 | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-3-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL} -1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1NZQ | 0.79 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.76 | |
I08 | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO- 6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]- VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE | A | 1SVH | 0.7 | |
1IN | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPV | 0.73 | |
1IN | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPW | 0.73 | |
464 | 3-[5-({5-[(AMINOCARBONYL)AMINO]- 2-OXO-2H-INDOL-3-YL}METHYL)-1H- PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE | A | 2PE2 | 0.82 | |
SBS | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF8 | 0.76 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.75 | |
R68 | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN- 2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN- 3-YL}ISONICOTINAMIDE | A | 1XHA | 0.7 | |
R68 | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN- 2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN- 3-YL}ISONICOTINAMIDE | A,B | 1XH5 | 0.7 | |
SBB | N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL- BENZAMIDE | A | 1IF9 | 0.74 | |
SN7 | 4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]- N-METHYLPYRIDINIUM MESYLATE | A | 328D | 0.78 | |
GEQ | 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN- 1-YL]CARBONYL}-1H-INDOLE | A,B,C,D,E,F | 1P44 | 0.8 | |
BI3 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE- 2,5-DIONE | A | 1UU9 | 0.73 | |
I19 | N-(4-{[(3S)-3-(dimethylamino)pyrrolidin- 1-yl]carbonyl}phenyl)-5-fluoro- 4-[2-methyl-1-(1-methylethyl)-1H- imidazol-5-yl]pyrimidin-2-amine | A | 2W17 | 0.76 | |
19A | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.77 | |
DKK | N-[2-(carbamimidamidooxy)ethyl]- 2-{6-cyano-3-[(2,2-difluoro-2-pyridin- 2-ylethyl)amino]-2-fluorophenyl}acetamide | B | 3C27 | 0.77 | |
5BN | 5-[(2-AMINOETHYL)AMINO]-6-FLUORO- 3-(1H-PYRROL-2-YL)BENZO[CD]INDOL- 2(1H)-ONE | A | 1P2A | 0.76 | |
CMB | 1-(3-carbamimidoylbenzyl)-N-(3,5- dichlorobenzyl)-4-methyl-1H-indole- 2-carboxamide | B | 1LPZ | 0.71 | |
NHB | N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)- 2-THIENYL]SULFONYL}AMINO)BENZAMIDE | A,B | 1W22 | 0.71 | |
LI2 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3- (2-PYRIDIN-4-YLETHYL)-1H-INDOL- 5-YL]BENZAMIDE | A | 1WBS | 0.78 | |
LTN | L-TRYPTOPHANAMIDE | A | 1MAU | 0.75 | |
LTN | L-TRYPTOPHANAMIDE | A,B | 2QUI | 0.75 | |
CMI | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL- 1H-INDOLE-2-CARBOXYLIC ACID 3,5- DIMETHYL-BENZYLAMIDE | B | 1LQD | 0.76 | |
PPX | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.84 | |
AM6 | 2-methyl-N-{4-methyl-3-[(2-{[4- (4-methylpiperazin-1-yl)phenyl]amino}pyrimidin- 5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide | A | 3BYU | 0.73 | |
P5B | N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~- {4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE | H,L | 1WUN | 0.71 | |
AM5 | 4-methyl-N~3~-(2-{[4-(4-methylpiperazin- 1-yl)phenyl]amino}pyrimidin-5-yl)- N~1~-[3-(trifluoromethyl)phenyl]benzene- 1,3-dicarboxamide | A | 3BYS | 0.74 | |
F10 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | X | 2P3G | 0.83 | |
QYT | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.73 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.73 | |
DRO | 1-(2-{[(3S)-3-(aminomethyl)-3,4- dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)- 4-chloro-5-methyl-N,N-diphenyl- 1H-pyrazole-3-carboxamide | A,B | 2W3L | 0.7 | |
ME4 | 3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN- 1(2H)-YL)BENZAMIDO)CYCLOHEXYL)- 1H-INDOLE-6-CARBOXAMIDE | A | 2P94 | 0.75 | |
MPZ | 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]- N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]PHENYL}BENZAMIDE | A | 1Y57 | 0.78 | |
PB3 | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUC | 0.78 | |
373 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN- 2(1H)-ONE | A | 2HXQ | 0.72 | |
BFA | 9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2- DIMETHYLAMINO-ETHYL)-AMIDE | A,B | 1EG6 | 0.75 | |
DA7 | 5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 1DL8 | 0.8 | |
BC3 | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.74 | |
DFN | 3-[3-(2,3-DIHYDROXY-PROPYLAMINO)- PHENYL]-4-(5-FLUORO-1-METHYL-1H- INDOL-3-YL)-PYRROLE-2,5-DIONE | A,B | 1R0E | 0.72 | |
CM6 | (2S)-2-[(2,1,3-BENZOTHIADIAZOL- 4-YLSULFONYL)AMINO]-2-PHENYL-N- PYRIDIN-4-YLACETAMIDE | A | 2CIB | 0.75 | |
MDL | [DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]- [4,4,5,5,5-PENTAFLUORO-3-OXY-1- [3-INDOLYL]-PENT-2-YL]AMINE | H,I | 1AD8 | 0.77 | |
LZ8 | (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]- 4H-pyrazole-3-carboxamide | A | 2VTO | 0.72 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNF | 0.78 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2H9V | 0.78 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A,B | 2ETR | 0.78 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNJ | 0.78 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 1Q8T | 0.78 |