Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00899442
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 |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.74 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.74 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.74 | ![]() |
C28![]() | N-[1-(AMINOMETHYL)CYCLOPROPYL]- 3-(MORPHOLIN-4-YLSULFONYL)-N~2~- [(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]- L-ALANINAMIDE | A,B | 2FT2 | 0.76 | ![]() |
FSB![]() | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G45 | 0.76 | ![]() |
FSB![]() | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G1D | 0.76 | ![]() |
LPF![]() | 1,1,1-TRIFLUORO-3-((N-ACETYL)-L- LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N- ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 7GCH | 0.71 | ![]() |
IOF![]() | 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9Q | 0.75 | ![]() |
SK1![]() | N-(BENZYLSULFONYL)-D-SERYL-N-{4- [AMINO(IMINO)METHYL]BENZYL}-L-ALANINAMIDE | U | 1W11 | 0.73 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.72 | ![]() |
F20![]() | N-BENZOYL-L-PHENYLALANYL-4-[(5S)- 1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN- 5-YL]-L-PHENYLALANINAMIDE | A | 2CMA | 0.75 | ![]() |
F6B![]() | N-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G48 | 0.75 | ![]() |
F6B![]() | N-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G53 | 0.75 | ![]() |
M25![]() | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.76 | ![]() |
M25![]() | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.76 | ![]() |
VG3![]() | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(pentylsulfonyl)benzamide | A | 2VIY | 0.71 | ![]() |
IZD![]() | ISOTHIAZOLIDINONE ANALOG | A | 2CM7 | 0.78 | ![]() |
TP2![]() | N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | A,B | 1F4D | 0.72 | ![]() |
TP2![]() | N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | A,B | 1F4C | 0.72 | ![]() |
U1N![]() | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.74 | ![]() |
352![]() | (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}- 5-(1-hydroxy-1-methylethyl)-5-methyl- 1,3-thiazol-4(5H)-one | A,B,C,D | 3EY4 | 0.71 | ![]() |
4MC![]() | (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL- 1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN- 2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMIDE | A,C | 2EFM | 0.74 | ![]() |
MZ2![]() | (2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY- 3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]- 4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE | A,B | 2QHZ | 0.73 | ![]() |
IOA![]() | 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9N | 0.75 | ![]() |
RRT![]() | (R)-RETRO-THIORPHAN | E | 1Z9G | 0.72 | ![]() |
NFT![]() | N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'- (AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2- TRIFLUOROETHYL}-L-LEUCINAMIDE | A | 1VSN | 0.79 | ![]() |
INV![]() | 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9L | 0.76 | ![]() |
IOE![]() | 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9P | 0.75 | ![]() |
IOC![]() | 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9O | 0.75 | ![]() |
STB![]() | 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE | A | 1OKN | 0.72 | ![]() |
DMX![]() | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.74 | ![]() |
53U![]() | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.75 | ![]() |
F1H![]() | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.8 | ![]() |
FPB![]() | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.74 | ![]() |
FTS![]() | (3R)-3-(FLUOROMETHYL)-N-(3,3,3- TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2G71 | 0.71 | ![]() |
OIR![]() | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.73 | ![]() |
KR2![]() | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN- 1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN- 2-AMINE | A,B | 2OLE | 0.73 | ![]() |
N2T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.74 | ![]() |
N5T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.72 | ![]() |
TI1![]() | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.7 | ![]() |
TI1![]() | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.7 | ![]() |
CRV![]() | N-[1-(AMINOMETHYL)CYCLOPROPYL]- 3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2- TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]- L-ALANINAMIDE | A,B | 2FRA | 0.72 | ![]() |
T29![]() | TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) | H | 1A3B | 0.7 | ![]() |
BSB![]() | N-BENZYL-4-SULFAMOYL-BENZAMIDE | A | 1G4O | 0.74 | ![]() |
N4T![]() | (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5- DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO- 1H-PYRROL-1-YL]-2-OXOETHANAMINE | A,B | 2FL2 | 0.75 | ![]() |
OAP![]() | 4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]- 5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID | A,B,C,D,E,F | 1KVO | 0.71 | ![]() |
G26![]() | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID (HYDROXYMETHYL- 2-PHENYLETHYL)AMIDE | A,B | 1HTF | 0.7 | ![]() |
INW![]() | 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9M | 0.75 | ![]() |
AO1![]() | (2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL- ((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE | A | 1R5G | 0.75 | ![]() |
G23![]() | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.75 | ![]() |
F21![]() | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2G72 | 0.74 | ![]() |
F21![]() | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2OPB | 0.74 | ![]() |
FPA![]() | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.73 | ![]() |
C1P![]() | N~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~- [(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP- 2-ENYL]-D-LEUCINAMIDE | A,B,C,D | 3BWK | 0.72 | ![]() |
C1P![]() | N~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~- [(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP- 2-ENYL]-D-LEUCINAMIDE | A,B | 1NPZ | 0.72 | ![]() |
YDP![]() | (3S,4S),-3,4-Bis-[(4-carbamoyl- benzensulfonyl)-(3-methyl-but-2- enyl)-amino]-pyrrolidine | A | 2ZGA | 0.7 | ![]() |
YDP![]() | (3S,4S),-3,4-Bis-[(4-carbamoyl- benzensulfonyl)-(3-methyl-but-2- enyl)-amino]-pyrrolidine | A,B | 3CKT | 0.7 | ![]() |
BSA![]() | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | A | 1YQS | 0.75 | ![]() |
SRB![]() | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.71 | ![]() |
51U![]() | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.74 | ![]() |
SM3![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1PI4 | 0.75 | ![]() |
SM3![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 2FFY | 0.75 | ![]() |
SM3![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1MY8 | 0.75 | ![]() |
SUB![]() | 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PROPIONIC ACID ETHYL ESTER | A | 1J4H | 0.71 | ![]() |
SAB![]() | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | A | 1OKM | 0.73 | ![]() |
TR1![]() | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.75 | ![]() |
TR1![]() | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.75 | ![]() |
998![]() | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.71 | ![]() |
APF![]() | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.72 | ![]() |
APF![]() | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.72 | ![]() |
F2B![]() | N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G46 | 0.75 | ![]() |
F2B![]() | N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G52 | 0.75 | ![]() |
GK5![]() | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.71 | ![]() |
TFK![]() | 3-[[(METHYLAMINO)SULFONYL]AMINO]- 2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO- 1-(1-METHYLETHYL)-2-OXOPHENYL]- 1(2H)-PYRIDINE ACETAMIDE | A | 1EAS | 0.71 | ![]() |
EG3![]() | PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE | A | 1CNY | 0.7 | ![]() |
C4P![]() | N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]- N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | A | 1NQC | 0.71 | ![]() |
PI0![]() | (2S)-N-[(4-carbamimidoylphenyl)methyl]- 2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide | H,L | 2ZP0 | 0.75 | ![]() |
2IN![]() | N-(BENZYLSULFONYL)SERYL-N~1~-{4- [AMINO(IMINO)METHYL]BENZYL}GLYCINAMIDE | U | 1SC8 | 0.72 | ![]() |
565![]() | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]- 3-METHYL-1,4-DIAZEPAN-2-ONE | A,B | 2IIV | 0.7 | ![]() |
7IN![]() | N-(BENZYLSULFONYL)SERYL-N~1~-{4- [(Z)-AMINO(IMINO)METHYL]BENZYL}SERINAMIDE | U | 1VJA | 0.72 | ![]() |
TIN![]() | A,B | 1N94 | 0.7 | ![]() | |
F1J![]() | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine- 2-carboxamide | A | 2ZJJ | 0.79 | ![]() |
CRJ![]() | N-(1-CYANOCYCLOPROPYL)-3-({[(2S)- 5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)- N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4- FLUOROPHENYL)ETHYL]-L-ALANINAMIDE | A,B | 2FQ9 | 0.79 | ![]() |
37U![]() | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.77 | ![]() |
44U![]() | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.7 | ![]() |
C4H![]() | N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]- 3-SULFANYLPROPANAMIDE | A,B | 2DOO | 0.72 | ![]() |
A21![]() | (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}- 5-methyl-5-(trifluoromethyl)-1,3- thiazol-4(5H)-one | A,B,C,D | 3BZU | 0.73 | ![]() |
3BP![]() | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO- PROPIONYLAMINO)-PENTANEDIOIC ACID 5- AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE) | H,L | 1WTG | 0.73 | ![]() |
PSM![]() | N-[DIHYDROXY(PROPYL)-LAMBDA~4~- SULFANYL]THREONYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}METHIONINAMIDE | H,L | 1WQV | 0.7 | ![]() |
MYP![]() | 4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1- (3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)- 2-PHENYLETHYL]-AMIDE | A,B | 1M6D | 0.7 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.72 | ![]() |
MZ1![]() | N~2~-ACETYL-N-[(1S,2R)-1-BENZYL- 2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5- TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]- L-ALANINAMIDE | A,B | 2QHY | 0.74 | ![]() |
SI1![]() | N-(BUTYLSULFONYL)-D-SERYL-N-{4- [AMINO(IMINO)METHYL]BENZYL}-L-ALANINAMIDE | U | 1W0Z | 0.71 | ![]() |
UN6![]() | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.71 | ![]() |
SRD![]() | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.71 | ![]() |
3CC![]() | N-[(2R)-5-(aminosulfonyl)-2,3-dihydro- 1H-inden-2-yl]-2-propylpentanamide | A | 2QO8 | 0.74 | ![]() |
MS2![]() | 2,2-DICHLORO-1-METHANESULFINYL- 3-METHYL-CYCLOPROPANECARBOXYLIC ACID [1- (4-BROMO-PHENYL)-ETHYL]-AMIDE | A,B,C | 6STD | 0.75 | ![]() |
F1K![]() | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine- 2-carboxamide | A,B,C | 2ZJK | 0.79 | ![]() |
008![]() | (S)-2-[(R)-3-AMINO-4-(2-FLUORO- PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | A,B,C,D | 2BUC | 0.73 | ![]() |
TST![]() | 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PENTANOIC ACID | A | 1J4I | 0.7 | ![]() |
FFB![]() | N-(2,3,4,5,6-PENTAFLOURO-BENZYL)- 4-SULFAMOYL-BENZAMIDE | A | 1G4J | 0.75 | ![]() |
FFB![]() | N-(2,3,4,5,6-PENTAFLOURO-BENZYL)- 4-SULFAMOYL-BENZAMIDE | A | 1G54 | 0.75 | ![]() |
D1R![]() | NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]- N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}- L-PHENYLALANINAMIDE | A | 2P7U | 0.74 | ![]() |
D1R![]() | NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]- N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}- L-PHENYLALANINAMIDE | A,C | 2OZ2 | 0.74 | ![]() |