Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02085894
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 |
3IP | 3-(BENZYLOXY)PYRIDIN-2-AMINE | A | 1W7H | 0.74 | |
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 | |
KS4 | 1-cyclobutyl-3-(3,4-dimethoxyphenyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A,B | 3EN5 | 0.7 | |
CAU | (2S)-1-(9H-Carbazol-4-yloxy)-3- (isopropylamino)propan-2-ol | A | 2RH1 | 0.76 | |
GW4 | N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]- 3-{4-[2-(5-METHYL-2-PHENYL-1,3- OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE | A,B | 2POB | 0.7 | |
320 | 2-(4-fluorophenyl)-N-{[3-fluoro- 4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | A | 3CTJ | 0.76 | |
AK6 | 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3- b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide | A | 3DJ6 | 0.71 | |
1N9 | 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY- 4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE | A | 2OFU | 0.73 | |
I3N | 1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID | A | 1DCY | 0.74 | |
7PC | 2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]- 5-PYRIDIN-2-YLPHENOL | A,B | 2OP0 | 0.73 | |
SS3 | (2S)-1-{[5-(3-METHYL-1H-INDAZOL- 5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN- 2-AMINE | A | 2UZT | 0.76 | |
2PY | (2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}-3-[(7AS)-7AH-INDOL-3- YL]PROPAN-2-AMINE | E | 2OH0 | 0.73 | |
PU6 | 8-BENZO[1,3]DIOXOL-,5-YLMETHYL- 9-BUTYL-9H- | A | 1UY9 | 0.71 | |
4JZ | 1-[5-tert-butyl-2-(4-methylphenyl)- 1,2-dihydro-3H-pyrazol-3-ylidene]- 3-{3-[(pyridin-3-yloxy)methyl]- 1H-pyrazol-5-yl}urea | A | 3FZT | 0.72 | |
CR3 | 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | A | 1O2H | 0.73 | |
2RL | N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN- 4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE- 4-CARBOXAMIDE | A | 2RL5 | 0.75 | |
DIT | DITERCALINIUM | A | 1D32 | 0.77 | |
HDY | 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2- A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN- 2-OL | A | 1OIR | 0.75 | |
IOG | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)- 1H-INDOL-3-YL]ACETAMIDE | A | 2IOG | 0.76 | |
L92 | (2S)-3-{4-[3-(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)PROPYL]PHENYL}- 2-(1H-PYRROL-1-YL)PROPANOIC ACID | A | 2Q8S | 0.7 | |
KIM | N~4~-methyl-N~4~-(3-methyl-1H-indazol- 6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJG | 0.73 | |
L11 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)- PHENYL]-3-FLUORO- | A | 1W83 | 0.71 | |
CEI | N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN- 2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | A,B | 2PSJ | 0.73 | |
CEI | N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN- 2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | A | 2F8P | 0.73 | |
CEI | N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN- 2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | A | 1S36 | 0.73 | |
DRD | 2-[(1-{3-[(6-BENZOYL-1-PROPYL-2- NAPHTHYL)OXY]PROPYL}-1H-INDOL-4- YL)OXY]-2-METHYLPROPANOIC ACID | A | 2HWR | 0.71 | |
PU0 | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)- 2-FLUORO-9H-PURIN-6-YLAMINE | A | 1UYH | 0.71 | |
3ID | 3H-INDOLE-5,6-DIOL | A | 1F9B | 0.71 | |
3ID | 3H-INDOLE-5,6-DIOL | A | 1OYO | 0.71 | |
EHA | (5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}- 1H-INDOL-1-YL)ACETIC ACID | A | 2F4B | 0.73 | |
GIG | METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- 1H-BENZIMIDAZOL-2-YL)CARBAMATE | A | 2OH4 | 0.73 | |
FPT | N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]- N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA | A | 1DTQ | 0.71 | |
W37 | N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN- 6-YL]OXY}HEXYL)-N-METHYLPROP-2- EN-1-AMINE | A,B,C | 1O6H | 0.77 | |
806 | 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN- 4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE- 2-CARBOXIMIDAMID | A | 1QB9 | 0.77 | |
LIC | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)- 2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN- 4-YL)-1-(4-METHOXYPHENYL)UREA | A | 2GHM | 0.74 | |
JTP | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2- D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]- 2-METHYL-L-ALANINE | A,B | 2DXS | 0.7 | |
655 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | B | 1O3P | 0.7 | |
655 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | A | 1O2I | 0.7 | |
792 | N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}- 5-methyl-D-tryptophan | A,B,C,D | 3G42 | 0.73 | |
6IN | 4-(1-BENZYL-3-CARBAMOYLMETHYL-2- METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID | A | 1DB5 | 0.77 | |
7NH | [2'-HYDROXY-3'-(1H-PYRROLO[3,2- C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]- UREA | H | 2FLR | 0.77 | |
896 | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.75 | |
GS2 | 2-[(2-{[1-(N,N-dimethylglycyl)- 5-methoxy-1H-indol-6-yl]amino}- 7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]- 6-fluoro-N-methylbenzamide | A | 3EKK | 0.72 | |
IMA | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | B | 1LPG | 0.77 | |
IMA | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | A | 1LQE | 0.77 | |
950 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2O | 0.7 | |
PC0 | 1-[2-(4-ETHOXY-3-FLUOROPYRIDIN- 2-YL)ETHYL]-3-(5-METHYLPYRIDIN- 2-YL)THIOUREA | A | 2HNZ | 0.73 | |
V5X | (2R)-N~8~-HYDROXY-2-{[(5-METHOXY- 2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}- N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE | A,B | 2V5X | 0.73 | |
134 | 6-FLUORO-2-[2-HYDROXY-3-(2-METHYL- CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE- 5-CARBOXAMIDINE | B | 1GJ9 | 0.71 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,D,U,X | 1FM6 | 0.76 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,B | 2PRG | 0.76 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A | 1ZGY | 0.76 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,B | 3CS8 | 0.76 | |
BRL | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2- (METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]- (9CL) | A,D | 3DZY | 0.76 | |
P10 | [1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER | A | 1ME3 | 0.71 | |
T2A | 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1- f][1,2,4]triazin-2-amine | A,C | 3EOC | 0.72 | |
GP8 | 1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA | A | 1BJV | 0.71 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX4 | 0.82 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX6 | 0.82 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QWX | 0.82 | |
PU7 | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)- 9H-PURIN-6-YLAMINE | A | 1UYC | 0.74 | |
QUN | QUINACRINE | A,B | 1JQE | 0.72 | |
L09 | N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)- N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA | A | 1WBN | 0.71 | |
43A | (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)- 3-(1H-PYRROL-2-YLMETHYLENE)-1,3- DIHYDRO-2H-INDOL-2-ONE | A | 2AYP | 0.73 | |
711 | 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN- 4-YL]OXY]-2-METHYL-BENZIMIDAZOL- 1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID | A | 1QBO | 0.77 | |
DD1 | 5-{[1-(2-fluorobenzyl)piperidin- 4-yl]methoxy}quinazoline-2,4-diamine | A | 3BL7 | 0.71 | |
858 | C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN | A,D | 1QPF | 0.73 | |
GNF | N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL- N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}- L-ALANINAMIDE | A,B | 2F1G | 0.71 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGF | 0.7 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGG | 0.7 | |
447 | N-(4-{[6-methoxy-7-(3-morpholin- 4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide | A,B | 2VRX | 0.7 | |
A53 | 5-{5-[(S)-2-AMINO-3-(1H-INDOL-3- YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1- (1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]- 1,3-DIHYDRO-INDOL-2-ONE | A | 2GHG | 0.76 | |
541 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL- 3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}- 2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | A,B | 2FV5 | 0.77 | |
LX2 | [4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2- diphenylethyl)amino}propoxy)-1H- indol-1-yl]acetic acid | A,B,C,D | 3FC6 | 0.73 | |
FLD | BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE- 1,6-DIAMINE | A,B | 154D | 0.78 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | H | 1O5D | 0.7 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | H | 1O5F | 0.7 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | B | 1O5C | 0.7 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | H,I | 1O5G | 0.7 | |
CR9 | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO- 1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | A | 1O2R | 0.7 | |
232 | 1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3- C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN- 4-YL]-PROPANE | A | 1C9Z | 0.77 | |
4MR | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN- 2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)- TRIONE | A,B | 2OVX | 0.72 | |
BYP | (2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN- 2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN- 2-OL | A | 1H08 | 0.71 | |
L20 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3- METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | A | 2JDS | 0.76 | |
L20 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3- METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | A | 2JDR | 0.76 | |
L20 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3- METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | A | 2JDV | 0.76 | |
L20 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3- METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | E | 2UZU | 0.76 | |
PIX | 4-(3-{[5-(trifluoromethyl)pyridin- 2-yl]oxy}benzyl)piperidine-1-carboxylic acid | A,B | 2WAP | 0.75 | |
310 | N-carbamimidoyl-2-[2-(2-chlorophenyl)- 5-[4-(4-ethanoylphenoxy)phenyl]pyrrol- 1-yl]ethanamide | A | 2ZDZ | 0.74 | |
KIN | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3- [3-(TRIFLUOROMETHYL)PHENYL]UREA | A | 2HZN | 0.82 | |
SS4 | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.] PYRAZOLE | E | 2UZW | 0.73 | |
3IG | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO- 4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE | A,B | 2G1R | 0.71 | |
B96 | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL- 3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)- NAPHTHALEN-1-YL]-UREA | A | 3FZS | 0.71 | |
B96 | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL- 3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)- NAPHTHALEN-1-YL]-UREA | A | 1KV2 | 0.71 | |
B35 | 4-[(1S)-1-(3-fluoro-4-methoxyphenyl)- 2-(2-methoxy-5-nitrophenyl)ethyl]- 1H-imidazol-2-amine | A,B,C | 3H0B | 0.72 | |
MR9 | 4-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN- 4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN- 4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2P4I | 0.72 | |
T19 | PHENYLMETHYLENECARBOXY-(METHYLENEAMINO- FORMYL-DIPHENYLMETHYL)METHY-PRO- BOROVAL | H,I | 1AIX | 0.71 | |
R86 | 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)- 6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN- 2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE | A | 2ORP | 0.77 | |
4EA | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)- 2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE | E | 2F7X | 0.81 | |
IOK | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | A,B | 2IOK | 0.7 | |
ZYE | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHOXYBENZYL)AMINO]PROPYL}- 1-ETHYL-4-(2-OXO-2,3-DIHYDRO-1H- PYRROL-1-YL)-1H-INDOLE-6-CARBOXAMIDE | A | 2WEZ | 0.74 | |
AQZ | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN- 1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}- 4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | A | 2BAK | 0.71 | |
253 | 10,11-dimethoxy-4-methyldibenzo[c,f]- 2,7-naphthyridine-3,6-diamine | A | 2R7B | 0.74 | |
PUZ | 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO- 9-PENT-9H-PURIN-6-YLAMINE | A | 1UYI | 0.7 | |
307 | 6,7-DIMETHYL-3-[(METHYL{2-[METHYL({1- [3-(TRIFLUOROMETHYL)PHENYL]-1H- INDOL-3-YL}METHYL)AMINO]ETHYL}AMINO)METHYL]- 4H-CHROMEN-4-ONE | A,C | 2AZ5 | 0.72 | |
AK8 | 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin- 4-yl]pyridin-2-yl}oxy)phenyl]-3- [3-(trifluoromethyl)phenyl]urea | A,B | 3EFW | 0.79 | |
SS5 | (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]- 3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | A | 2UZV | 0.76 | |
DTQ | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | A | 1DI8 | 0.71 | |
4LG | METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)- 6-OXOPIPERAZIN-2-YL]METHOXY}-1H- INDOL-1-YL)ACETATE | A,B | 2G27 | 0.85 | |
PFH | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN- 1-YL]QUINAZOLINE | A | 2OVV | 0.73 | |
HRP | 5-HYDROXY-L-TRYPTOPHAN | B | 1YIA | 0.71 | |
IHJ | 9-CYCLOPENTYL-6-{2-[3-(4-METHYL- PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}- 9H-PURINE-2-CARBONITRILE | A | 1U9X | 0.71 | |
PUY | PUROMYCIN | A,B | 2DPT | 0.7 | |
PUY | PUROMYCIN | 1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z | 1Q7Y | 0.7 | |
G93 | 4-{2-(4-amino-2,5-dihydro-1,2,5- oxadiazol-3-yl)-1-ethyl-7-[(3S)- piperidin-3-ylmethoxy]-1H-imidazo[4,5- c]pyridin-4-yl}-2-methylbut-3-en- 2-ol | A,B | 3D0E | 0.7 | |
P3Y | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3- B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE- 3-CARBOXAMIDE | A | 2Z60 | 0.71 | |
P3Y | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3- B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE- 3-CARBOXAMIDE | A,B | 2QOH | 0.71 | |
BZ9 | N-[3-methyl-4-({3-[2-(methylamino)pyrimidin- 4-yl]pyridin-2-yl}oxy)naphthalen- 1-yl]-1H-benzimidazol-2-amine | A | 3DA6 | 0.75 | |
RO0 | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY- 4-{[4-(2-METHOXYPHENYL)PIPERIDIN- 1-YL]METHYL}ISOQUINOLINE | A | 2FVJ | 0.73 | |
893 | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)- 6-ETHOXYPYRIDINE-2-CARBOXAMIDE | A,B | 2H96 | 0.71 | |
1FN | 1-(4-fluorophenyl)-N-[3-fluoro- 4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]- 2-oxo-1,2-dihydropyridine-3-carboxamide | A | 3CE3 | 0.75 | |
ALH | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE | A,B | 1UNG | 0.74 | |
LIE | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)- 9-ISOPROPYL-9H-PURIN-8-AMINE | A | 2GTN | 0.74 | |
7IP | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHQ | 0.74 | |
PFJ | 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN- 2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | A | 2OVY | 0.72 | |
826 | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.71 | |
887 | N-cyclopropyl-6-[(6,7-dimethoxyquinolin- 4-yl)oxy]naphthalene-1-carboxamide | A,B | 3B8R | 0.73 | |
2EA | (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN- 6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE | E | 2F7E | 0.74 | |
642 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin- 4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane- 1-carboxylic acid | A,B | 3EWJ | 0.74 | |
351 | 1-(3-{5-[4-(aminomethyl)phenyl]- 1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)- 3-(2-phenoxyphenyl)urea | A,B | 3ETA | 0.76 | |
I48 | N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)- ETHOXY]-PHENYL}-BENZENESULFONAMIDE | H | 1UVT | 0.72 | |
U49 | (20S)-19,20,21,22-TETRAHYDRO-19- OXO-5H-18,20-ETHANO-12,14-ETHENO- 6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3- K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE- 9-CARBONITRILE | A,B | 1LD8 | 0.73 | |
HXL | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)- 1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | G | 2FJV | 0.74 | |
HXL | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)- 1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | B | 2FJX | 0.74 | |
319 | N-({4-[(2-aminopyridin-4-yl)oxy]- 3-fluorophenyl}carbamoyl)-2-(4- fluorophenyl)acetamide | A | 3CTH | 0.77 | |
994 | 4-(2-anilinopyridin-3-yl)-N-(3,4,5- trimethoxyphenyl)-1,3,5-triazin- 2-amine | A | 2P2H | 0.72 | |
3HT | 5-[1-(4-methoxyphenyl)-1H-benzimidazol- 6-yl]-1,3,4-oxadiazole-2(3H)-thione | A,B | 3F88 | 0.75 | |
MHR | 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin- 3-yl)pyrimidin-2-amine | A,B,C,D | 3BHU | 0.74 | |
SIE | SULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)- 1H-INDOL-6-YL ESTER | A | 2BRP | 0.73 | |
4PY | (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H- PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | E | 2OJF | 0.72 | |
MFR | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin- 3-yl)pyrimidin-2-amine | A,B,C,D | 3BHT | 0.72 | |
1BM | 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6- {[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN- 4-YL]AMINO}-4-METHYLPHENOL | A | 2HK5 | 0.73 | |
KNI | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | A,B | 3FX5 | 0.71 | |
KNI | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | B | 1HPX | 0.71 | |
KNI | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | B | 2ZYE | 0.71 | |
241 | (2S)-2-(3-{[1-(4-METHOXYBENZOYL)- 2-METHYL-5-(TRIFLUOROMETHOXY)-1H- INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID | A,B | 2Q5P | 0.7 | |
ET0 | 3-(5-methoxy-1H-indol-3-yl)propanoic acid | A,B | 3ET0 | 0.76 | |
L5G | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3- b]pyridazin-3-yl)methoxy]quinoline | A | 3CD8 | 0.74 | |
AM0 | N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]- 1,3,5-triazin-2-yl}-1H-benzimidazol- 2-amine | A | 3BYM | 0.73 | |
HET | 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}- 9H-PURIN-9-YL)ETHYL]PHENOL | A | 2BDJ | 0.71 | |
L08 | 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]- 3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE | A,B,C,D | 1RD4 | 0.71 | |
330 | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4- (2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE | A | 2IO6 | 0.7 | |
MT4 | 5-{4-[(6,7-dimethoxyquinolin-4- yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]- 3-methylpyrimidin-4(3H)-one | A,B | 3EFK | 0.74 | |
215 | (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN- 1-ONE OXIME | A,B | 2FB8 | 0.78 | |
E97 | [3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)- PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL- 2-YL}-PHENOXY)-PROPYL]-DIMETHYL- AMINE | A | 1FTD | 0.75 | |
IM8 | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYE | 0.72 | |
IP7 | N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN- 2-YLMETHOXY)BENZYL]PYRIDINE-2,3- DIAMINE | A | 2OHU | 0.78 | |
547 | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3- B]PYRIDIN-4-AMINE | A | 2OF2 | 0.75 | |
IID | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.77 | |
IMS | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYU | 0.72 | |
BNE | 2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN- 3-YL)-PHENOXY]-4-[1-AMINO-1-(1- METHYL-1H-IMIDIZOL-5-YL)-ETHYL]- BENZONITRILE | B | 1MZC | 0.73 | |
HRM | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5X | 0.81 | |
HRM | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5Y | 0.81 | |
N20 | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE | A,B,C,D | 1OI9 | 0.7 | |
AI3 | 2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2- C]ISOQUINOLIN-6-IUM | A,C,D | 1TL8 | 0.74 | |
587 | C32-O-(1-METHYL-INDOL-5-YL) 18- HYDROXY-ASCOMYCIN | A,C | 1QPL | 0.73 | |
8IN | [3-(1-BENZYL-3-CARBAMOYLMETHYL- 2-METHYL-1H-INDOL-5-YLOXY)-PROPYL- ]-PHOSPHONIC ACID | A | 1DB4 | 0.77 | |
S03 | 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN- 4-OL | A,B | 1YOL | 0.76 | |
SU9 | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)- 5-METHOXY-1H-INDOL-2(3H)-ONE | A | 1PF8 | 0.73 | |
5IG | 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL- 2H-1,4-BENZOXAZIN-3(4H)-ONE | A,B | 2G1Y | 0.7 | |
C4F | 3-(3-methoxybenzyl)-1H-pyrrolo[2,3- b]pyridine | A,B | 3C4F | 0.75 | |
LI4 | 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2- AMINE | A | 1WBW | 0.75 | |
PU4 | 9-BUTYL-8-(4-METHOXYBENZYL)-9H- PURIN-6-AMINE | A | 1UY7 | 0.73 | |
FRI | 2-GUANIDINO-4-METHYL-PENTANOIC ACID [2- (4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)- 2,3-DICHLORO-PHENYL]-2-METHYL-2H- PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2- OXO-ETHYL]-AMIDE | A,B,C,D | 1QVN | 0.7 | |
O33 | (4R)-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO- 1H-INDEN-1-YL]-3-[(2S,3S)-2-HYDROXY- 3-({N-[(ISOQUINOLIN-5-YLOXY)ACETYL]- S-METHYL-L-CYSTEINYL}AMINO)-4-PHENYLBUTANOYL]- 5,5-DIMETHYL-1,3-THIAZOLIDINE-4- CARBOXAMIDE | B | 2PK6 | 0.71 | |
PU3 | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)- 9H-PURIN-6-AMINE | A | 1UYM | 0.7 | |
PU3 | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)- 9H-PURIN-6-AMINE | A | 1UY6 | 0.7 | |
750 | 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN- 2-CARBOXYLIC ACID ((S)-3-METHYL- 1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2- YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE | A,B | 1NL6 | 0.72 | |
7PY | 7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)- 7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE | A,B | 2ETM | 0.74 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWH | 0.74 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWJ | 0.74 | |
DRY | [(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}- 1H-INDOL-5-YL)OXY]ACETIC ACID | A | 2HWQ | 0.73 | |
G6G | N-{3-[(3-{4-[(4-methoxyphenyl)amino]- 1,3,5-triazin-2-yl}pyridin-2-yl)amino]- 4-methylphenyl}-4-[(4-methylpiperazin- 1-yl)methyl]benzamide | A,B | 3G6G | 0.71 | |
PRD | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL- PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE | A | 1BOZ | 0.71 | |
YPA | (S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)- PHENYL)-2-ETHOXY-PROPIONIC ACID | A | 1KNU | 0.72 | |
DEH | 2,9-dihydroxy-3,10-dimethoxy-5,6- dihydroisoquino[3,2-a]isoquinolinium | A | 3GSY | 0.73 | |
U66 | (20S)-19,20,22,23-TETRAHYDRO-19- OXO-5H,21H-18,20-ETHANO-12,14-ETHENO- 6,10-METHENOBENZ[D]IMIDAZO[4,3- L][1,6,9,13]OXATRIAZACYCLONOADECOSINE- 9-CARBONITRILE | B | 1LD7 | 0.75 | |
1HP | 4-(2-amino-1-methyl-1H-imidazo[4,5- b]pyridin-6-yl)phenol | A,B | 2QSE | 0.73 | |
5PI | N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL- N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}- L-GLUTAMAMIDE | H,L | 1WV7 | 0.77 | |
276 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]- 3H-benzimidazol-5-yl]oxy]-N-methyl- pyridine-2-carboxamide | A | 2QU5 | 0.72 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A | 3ET3 | 0.72 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A,B | 3ET1 | 0.72 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A,B | 3ET2 | 0.72 | |
8PC | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B | 2OP1 | 0.7 | |
8PC | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B,C,D | 3FNE | 0.7 | |
P13 | N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL- 5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE | B | 1UTS | 0.83 | |
PU5 | 9-BUTYL-8-(3-METHOXYBENZYL)-9H- PURIN-6-AMINE | A | 1UY8 | 0.74 | |
SAV | N~4~-(3-methyl-1H-indazol-6-yl)- N~2~-(3,4,5-trimethoxyphenyl)pyrimidine- 2,4-diamine | A | 3CJF | 0.72 | |
6EA | (1S)-1-(1H-INDOL-3-YLMETHYL)-2- (2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN- 5-YLOXY)-EHYLAMINE | E | 2F7Z | 0.79 | |
LIB | 3-(2-CHLOROPHENYL)-1-(2-{[(1S)- 2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN- 4-YL)-1-(4-METHOXYPHENYL)UREA | A | 2GHL | 0.71 | |
ML2 | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX9 | 0.77 | |
ML2 | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX8 | 0.77 | |
5OB | 5-METHOXYBENZIMIDAZOLE | A | 1JHP | 0.71 | |
KTN | CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)- 2-(1H-IMIDAZOL-1-YLMETHYL)-1,3- DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE | A | 1JIP | 0.71 | |
KTN | CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)- 2-(1H-IMIDAZOL-1-YLMETHYL)-1,3- DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE | A | 1JIN | 0.71 | |
1PM | methyl (3S)-3-{2-[(1,3-benzodioxol- 5-ylmethyl)amino]-2-oxoethyl}-4- [2-(1H-imidazol-1-yl)pyrimidin- 4-yl]piperazine-1-carboxylate | A | 1DD7 | 0.72 | |
KLN | 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4- DICHLOROPHENYL)-2-(1H-IMIDAZOL- 1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE | A,B,C,D | 2V0M | 0.71 | |
353 | N-{4-[(2-amino-3-chloropyridin- 4-yl)oxy]-3-fluorophenyl}-4-ethoxy- 1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine- 3-carboxamide | A | 3F82 | 0.71 | |
3LG | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)- 6-OXOPIPERAZIN-2-YL]METHOXY}-1H- INDOL-1-YL)ACETIC ACID | B | 2G26 | 0.83 | |
608 | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.74 | |
G98 | 4-[2-(4-amino-2,5-dihydro-1,2,5- oxadiazol-3-yl)-6-{[(1S)-3-amino- 1-phenylpropyl]oxy}-1-ethyl-1H- imidazo[4,5-c]pyridin-4-yl]-2-methylbut- 3-en-2-ol | A,B,E,I,L,P | 3E8E | 0.75 | |
G98 | 4-[2-(4-amino-2,5-dihydro-1,2,5- oxadiazol-3-yl)-6-{[(1S)-3-amino- 1-phenylpropyl]oxy}-1-ethyl-1H- imidazo[4,5-c]pyridin-4-yl]-2-methylbut- 3-en-2-ol | A,B | 3E8D | 0.75 | |
897 | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUK | 0.73 | |
3FP | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6- {[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN- 4-YL)AMINO]PHENOXY}PROPAN-2-OL | A | 1V1K | 0.72 | |
SRO | SEROTONIN | A,B | 3BRN | 0.73 | |
SRO | SEROTONIN | A | 2QEH | 0.73 | |
Q4A | N-(1-benzylpiperidin-4-yl)-6,7- dimethoxy-2-(4-methyl-1,4-diazepan- 1-yl)quinazolin-4-amine | A,B | 3FPD | 0.7 | |
ASE | N-ACETYL SEROTONIN | A | 1NAS | 0.75 | |
228 | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]- 1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN- 4-YL]-D-PROLINAMIDE | A | 2ORO | 0.73 | |
BER | BERBERINE | A | 3D6Y | 0.75 | |
BER | BERBERINE | A,B,D,E | 1JUM | 0.75 | |
BER | BERBERINE | A,B,D,E | 3BTI | 0.75 | |
BER | BERBERINE | A | 2QVD | 0.75 | |
CKK | N-{[4-({5-[(4-aminopiperidin-1- yl)methyl]pyrrolo[2,1-f][1,2,4]triazin- 4-yl}oxy)-3-fluorophenyl]carbamoyl}- 2-(4-fluorophenyl)acetamide | A | 3C1X | 0.81 | |
SDZ | 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)- PROPYL]-4-(2-PYRIDYL)-PIPERAZINE | 1 | 1HRV | 0.74 | |
AQ4 | [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE- 4-YL]-(3-ETHYNYLPHENYL)AMINE | A | 1M17 | 0.73 | |
G96 | 4-[2-(4-amino-2,5-dihydro-1,2,5- oxadiazol-3-yl)-6-{[(2R)-2-amino- 3-phenylpropyl]oxy}-1-ethyl-1H- imidazo[4,5-c]pyridin-4-yl]-2-methylbut- 3-en-2-ol | A,B,C,D,E,F | 3E8C | 0.75 | |
G96 | 4-[2-(4-amino-2,5-dihydro-1,2,5- oxadiazol-3-yl)-6-{[(2R)-2-amino- 3-phenylpropyl]oxy}-1-ethyl-1H- imidazo[4,5-c]pyridin-4-yl]-2-methylbut- 3-en-2-ol | A,B | 3E88 | 0.75 | |
BWP | (2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN- 2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN- 2-OL | A | 1H08 | 0.71 | |
PO5 | (2S)-1-(dimethylamino)-3-(4-{[4- (6-morpholin-4-ylpyrazolo[1,5-b]pyridazin- 3-yl)pyrimidin-2-yl]amino}phenoxy)propan- 2-ol | A | 3EID | 0.74 | |
FLX | N-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL- (R)-[1-AMINO-2(1H-INDOL-3-YL)ETHYL]- PHOSPHONIC ACID | A | 4AIG | 0.72 | |
R03 | ALLYL-{6-[3-(4-BROMO-PHENYL)-1- METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)- N-METHYLAMINE | A,B,C | 1H39 | 0.7 | |
BT3 | 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)- BENZYL]-2-4-(2-PYRROLIDIN-1-YL- ETHOXY)-PHENYL] -BENZO[B]THIOPHEN- 6-OL | B,H | 1D3P | 0.71 | |
359 | 3-[[3-[(2R)-3-[[(2S)-5-amino-1- [(4-carbamimidoylphenyl)methylamino]- 1,5-dioxo-pentan-2-yl]amino]-2- (ethylsulfonylamino)-3-oxo-propyl]- 1H-indol-5-yl]oxymethyl]benzoic acid | H,L | 2ZZU | 0.71 | |
MT3 | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin- 4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin- 4(3H)-one | A,B | 3EFJ | 0.71 | |
9IP | N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE- 2,3-DIAMINE | A | 2OHS | 0.76 | |
HT1 | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A,B | 403D | 0.75 | |
HT1 | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A | 129D | 0.75 | |
HT1 | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A,B | 130D | 0.75 | |
HT1 | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | A | 3F8C | 0.75 | |
CIA | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL- 2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4- B]INDOLE-1,4-DIONE | A,B | 1UDU | 0.74 | |
CIA | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL- 2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4- B]INDOLE-1,4-DIONE | A | 1XOZ | 0.74 | |
PZF | (3R,4S)-1-[6-(6-METHOXYPYRIDIN- 3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN- 3-AMINE | A,B | 2QJR | 0.77 | |
IHI | 9-CYCLOPENTYL-6-[2-(3-IMIDAZOL- 1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE- 2-CARBONITRILE | A | 1U9W | 0.71 | |
783 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-5-METHOXY-1,1'-BIPHENYL-2- OLATE | A | 1O2T | 0.73 | |
656 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2K | 0.71 | |
656 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-6-ISOBUTOXYBENZENOLATE | A | 1O2J | 0.71 | |
D2G | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.7 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.79 | |
I1H | 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]- 4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN- 4-YL)METHYL]BENZAMIDE | B | 2BMG | 0.71 | |
342 | (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)- 3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE | A | 2ORT | 0.75 |