Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02161675
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 |
FPB | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.78 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.76 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.76 | |
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 | 0.73 | |
872 | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]- 3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN- 2-ONE | A,B | 2IIT | 0.72 | |
ICX | methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex- 5-enoyl]glycinate | A,C,D,E,G,P, Q,R,W | 3CWB | 0.71 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.72 | |
SEI | 1-{3-METHYL-2-[4-(MORPHOLINE-4- CARBONYL)-BENZOYLAMINO]-BUTYRYL}- PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4- PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)- AMIDE | A | 1B0F | 0.74 | |
SEI | 1-{3-METHYL-2-[4-(MORPHOLINE-4- CARBONYL)-BENZOYLAMINO]-BUTYRYL}- PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4- PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)- AMIDE | A | 1B0E | 0.74 | |
IOF | 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9Q | 0.75 | |
5FH | (5S)-5-benzylimidazolidine-2,4- dione | A | 2JLO | 0.74 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.7 | |
STB | 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE | A | 1OKN | 0.75 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.7 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.7 | |
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 | |
KR2 | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN- 1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN- 2-AMINE | A,B | 2OLE | 0.78 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.7 | |
BFB | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.78 | |
FAF | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.72 | |
FFB | N-(2,3,4,5,6-PENTAFLOURO-BENZYL)- 4-SULFAMOYL-BENZAMIDE | A | 1G4J | 0.76 | |
FFB | N-(2,3,4,5,6-PENTAFLOURO-BENZYL)- 4-SULFAMOYL-BENZAMIDE | A | 1G54 | 0.76 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.77 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.71 | |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.78 | |
FA4 | SM-25453 | A,B | 2D1O | 0.71 | |
FA4 | SM-25453 | A,B | 2D1N | 0.71 | |
IOA | 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9N | 0.75 | |
N2T | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.72 | |
IOE | 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9P | 0.75 | |
MN7 | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.72 | |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.7 | |
605 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide | A,B | 3D4L | 0.75 | |
565 | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]- 3-METHYL-1,4-DIAZEPAN-2-ONE | A,B | 2IIV | 0.71 | |
FR1 | 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3- TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN- 1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID | N | 1MMJ | 0.75 | |
IOC | 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9O | 0.75 | |
BHO | BENZHYDROXAMIC ACID | A,B | 1GX2 | 0.7 | |
BHO | BENZHYDROXAMIC ACID | A | 1HSR | 0.7 | |
BHO | BENZHYDROXAMIC ACID | A,B | 2ATJ | 0.7 | |
BHO | BENZHYDROXAMIC ACID | A,B | 4ATJ | 0.7 | |
BHO | BENZHYDROXAMIC ACID | A,B | 3ATJ | 0.7 | |
BHO | BENZHYDROXAMIC ACID | A | 3GCK | 0.7 | |
BHO | BENZHYDROXAMIC ACID | A,B,C,D,E,F, G,H | 2BOY | 0.7 | |
YC2 | N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}- L-glutamic acid | A | 3D7H | 0.73 | |
MKC | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL | A | 1RT1 | 0.71 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.71 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.76 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.76 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.76 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.76 | |
LAZ | N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE | A,B | 1OJC | 0.72 | |
BAG | N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)- 2-HYDROXYVINYL]BENZAMIDE | A | 1WDA | 0.81 | |
DHQ | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.77 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.87 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.7 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.78 | |
A21 | (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}- 5-methyl-5-(trifluoromethyl)-1,3- thiazol-4(5H)-one | A,B,C,D | 3BZU | 0.7 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.74 | |
INW | 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9M | 0.75 | |
TF1 | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)- 3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN- 1-YL}CARBONYL)BENZONITRILE | A | 2BU5 | 0.72 | |
TF1 | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)- 3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN- 1-YL}CARBONYL)BENZONITRILE | A | 2BU2 | 0.72 | |
TTX | TENTOXIN | B | 1KMH | 0.73 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.7 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.7 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.7 | |
NFA | PHENYLALANINE AMIDE | A | 2A4O | 0.7 | |
NFA | PHENYLALANINE AMIDE | A,B | 1XAE | 0.7 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.7 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.7 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.7 | |
BSA | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | A | 1YQS | 0.75 | |
NDL | N-BENZOYL-L-NORLEUCYL-L-LYSYL-L- ARGINYL-L-ARGININE | B | 2FP7 | 0.72 | |
BSB | N-BENZYL-4-SULFAMOYL-BENZAMIDE | A | 1G4O | 0.73 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.72 | |
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 | 0.77 | |
INV | 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9L | 0.74 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.87 | |
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 | |
37U | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.73 | |
EG2 | AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE | A | 1CNX | 0.7 | |
SAB | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | A | 1OKM | 0.77 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.75 | |
KEU | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO- 6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1- (2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}- D-GLUTAMIC ACID | A,B | 1NJS | 0.72 | |
KEU | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO- 6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1- (2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}- D-GLUTAMIC ACID | A,B,C,D | 1RBY | 0.72 | |
KEU | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO- 6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1- (2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}- D-GLUTAMIC ACID | A,B,C,D | 1RBQ | 0.72 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.79 | |
FSB | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G45 | 0.74 | |
FSB | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G1D | 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 | 0.72 |