Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01991410
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 |
PF3![]() | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]- THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID | A,B | 1UTZ | 0.81 | ![]() |
ICO![]() | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.75 | ![]() |
NHB![]() | N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)- 2-THIENYL]SULFONYL}AMINO)BENZAMIDE | A,B | 1W22 | 0.75 | ![]() |
TFG![]() | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL- 5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE- 1,1-DIOL | A,B | 2VQQ | 0.75 | ![]() |
TFG![]() | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL- 5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE- 1,1-DIOL | A,B | 2VQO | 0.75 | ![]() |
TFG![]() | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL- 5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE- 1,1-DIOL | A | 2VQJ | 0.75 | ![]() |
PSZ![]() | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2QB3 | 0.75 | ![]() |
PSZ![]() | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2QB2 | 0.75 | ![]() |
PSZ![]() | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2QBT | 0.75 | ![]() |
PSZ![]() | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2QA3 | 0.75 | ![]() |
PSZ![]() | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID | A | 2Q7W | 0.75 | ![]() |
180![]() | 2-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]- 3-[[2-CARBONYL-5-[2-(PIPERIDIN- 4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]- PROPIONIC ACID | A,B | 2VC2 | 0.74 | ![]() |
32T![]() | (S)-2-AMINO-3-(4H-THIENO[3,2-B]- PYRROL-6-YL)-PROPIONIC ACID | A | 1RMO | 0.74 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.74 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.74 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.74 | ![]() |
BP5![]() | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.73 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.72 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.72 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.72 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.72 | ![]() |
PMC![]() | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.72 | ![]() |
NA4![]() | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.72 | ![]() |
AR2![]() | ARGINYL-BENZOTHIAZOLE-6-CARBOXYLIC ACID | A,B,I | 1DOJ | 0.72 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.72 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.72 | ![]() |
Q2Y![]() | 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2- YLAMINO)-BENZOYLAMINO]-METHYL}- THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID | A | 1RWM | 0.72 | ![]() |
PRR![]() | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.71 | ![]() |
NN3![]() | 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A,B | 2GIR | 0.71 | ![]() |
PYA![]() | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.71 | ![]() |
NTM![]() | QUINOLINIC ACID | A | 3C2O | 0.71 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B | 1QAP | 0.71 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.71 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C | 2B7N | 0.71 | ![]() |
NFL![]() | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.71 | ![]() |
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 | 0.71 | ![]() |
LG2![]() | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.71 | ![]() |
HQC![]() | 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)- AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- 4-OXO-BUTYRI ACID | A | 1RWP | 0.71 | ![]() |
IPC![]() | 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A | 1YVX | 0.71 | ![]() |
BTH![]() | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- PENTANOIC ACID | A | 1RWO | 0.71 | ![]() |
TPV![]() | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | A,B | 2O4P | 0.7 | ![]() |
TPV![]() | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | A | 1D4S | 0.7 | ![]() |
TPV![]() | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | A,B | 2O4L | 0.7 | ![]() |
TPV![]() | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | A | 1D4Y | 0.7 | ![]() |
TPV![]() | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2- OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO- 2H-PYRAN-3-YL]PROPYL}PHENYL)-5- (TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | A,B | 2O4N | 0.7 | ![]() |
982![]() | 3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE- 2-CARBOXYLIC ACID | A | 2AZR | 0.7 | ![]() |
BMS![]() | A,B | 1DKF | 0.7 | ![]() | |
4PP![]() | C,L | 1XKA | 0.7 | ![]() | |
4PP![]() | A,B,C,D | 1XKB | 0.7 | ![]() | |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.7 | ![]() |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.7 | ![]() |
PYB![]() | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | A,D,E,G,I,J | 1S32 | 0.7 | ![]() |
PYB![]() | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | D,I,J | 1M18 | 0.7 | ![]() |
PYB![]() | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M1A | 0.7 | ![]() |
PYB![]() | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M19 | 0.7 | ![]() |