Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00503018
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 |
826![]() | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.7 | ![]() |
135![]() | N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE | B | 1GJA | 0.7 | ![]() |
2D7![]() | N-(4-ACETYLPHENYL)-5-(5-CHLORO- 2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE- 4-CARBOXAMIDE | A | 2BYH | 0.71 | ![]() |
OPB![]() | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A | 1Q7A | 0.7 | ![]() |
OPB![]() | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A,B | 2BXB | 0.7 | ![]() |
OPB![]() | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A | 2BXO | 0.7 | ![]() |
EES![]() | 3-CHLORO-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QGW | 0.74 | ![]() |
EI1![]() | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QAB | 0.77 | ![]() |
JK2![]() | 3-{5-[(2-fluorophenyl)amino]-1H- indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide | A | 3FI3 | 0.71 | ![]() |
859![]() | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.71 | ![]() |
896![]() | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.7 | ![]() |
4DE![]() | 1-(4-METHOXYPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2D | 0.73 | ![]() |
LI7![]() | (3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE | A | 1YXX | 0.71 | ![]() |
GG2![]() | 1-(4-METHOXYPHENYL)-7-OXO-6-[4- (2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7- TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE- 3-CARBOXAMIDE | A | 2P16 | 0.73 | ![]() |
PQA![]() | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | A | 2BAL | 0.7 | ![]() |
76A![]() | 3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4- HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2- C]PYRAZOLE-6-CARBOXAMIDE | A | 2E9N | 0.73 | ![]() |
M54![]() | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)- 9-(1H-pyrazol-4-yl)benzo[h]isoquinolin- 1(2H)-one | A | 2R0U | 0.72 | ![]() |
061![]() | 2-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL- 5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN- 4-ONE | A,B | 1A8T | 0.71 | ![]() |
JK1![]() | 3-{4-[(phenylcarbamoyl)amino]-1H- pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide | A | 3FI2 | 0.7 | ![]() |
326![]() | 2-{(E)-[5-HYDROXY-3-METHYL-1-(2- METHYL-4-SULFOPHENYL)-1H-PYRAZOL- 4-YL]DIAZENYL}-4-SULFOBENZOIC ACID | A,B | 1THZ | 0.74 | ![]() |
R69![]() | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH4 | 0.71 | ![]() |
R69![]() | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH9 | 0.71 | ![]() |
PQB![]() | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | A | 2BAQ | 0.71 | ![]() |
PQB![]() | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | A | 2GFS | 0.71 | ![]() |