Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01696207
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 |
2E1![]() | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)- N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE- 3-CARBOXAMIDE | A | 2CCT | 0.71 | ![]() |
YSH![]() | 1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]- 1H-PYRAZOLE-4-CARBOXYLIC ACID | A,B | 1VDV | 0.72 | ![]() |
I08![]() | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO- 6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]- VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE | A | 1SVH | 0.71 | ![]() |
JK1![]() | 3-{4-[(phenylcarbamoyl)amino]-1H- pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide | A | 3FI2 | 0.71 | ![]() |
826![]() | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.74 | ![]() |
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 | ![]() |
R55![]() | N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN- 1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH8 | 0.76 | ![]() |
5QC![]() | 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)- 6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN- 1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)- 1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4- C]PYRIDIN-7-ONE | A | 2FZZ | 0.71 | ![]() |
R96![]() | N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN- 1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH7 | 0.76 | ![]() |
I04![]() | N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZOYLAMINO]- AZEPAN-3-YL}ISONICOTINAMIDE | A | 1SVG | 0.73 | ![]() |
LG0![]() | 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin- 1-ylmethyl)cyclopropyl)phenyl)- 3-(trifluoromethyl)-5,6-dihydro- 1H-pyrazolo[3,4-c]pyridin-7(4H)- one | A | 3CS7 | 0.7 | ![]() |
PQA![]() | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | A | 2BAL | 0.73 | ![]() |
859![]() | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.73 | ![]() |
R68![]() | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN- 2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN- 3-YL}ISONICOTINAMIDE | A | 1XHA | 0.74 | ![]() |
R68![]() | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN- 2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN- 3-YL}ISONICOTINAMIDE | A,B | 1XH5 | 0.74 | ![]() |
PYU![]() | 2-(1H-pyrrol-1-ylcarbonyl)benzene- 1,3,5-triol | A,B | 3EKO | 0.74 | ![]() |
M54![]() | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)- 9-(1H-pyrazol-4-yl)benzo[h]isoquinolin- 1(2H)-one | A | 2R0U | 0.72 | ![]() |
R69![]() | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH4 | 0.79 | ![]() |
R69![]() | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH9 | 0.79 | ![]() |
BI5![]() | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 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 | 0.7 | ![]() |
869![]() | (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL- 4-YL)[6-(METHYLSULFONYL)-4'-METHOXY- 2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE | A | 1TFZ | 0.72 | ![]() |
869![]() | (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL- 4-YL)[6-(METHYLSULFONYL)-4'-METHOXY- 2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE | A,B | 1SQI | 0.72 | ![]() |
VRS![]() | VIRGINIAMYCIN S1 | 0,1,2,3,9,A, B,C,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 1YIT | 0.71 | ![]() |
2D7![]() | N-(4-ACETYLPHENYL)-5-(5-CHLORO- 2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE- 4-CARBOXAMIDE | A | 2BYH | 0.74 | ![]() |
R94![]() | N-(4-{[4-(2-HYDROXY-5-PIPERIDIN- 1-YLBENZOYL)BENZOYL]AMINO}AZEPAN- 3-YL)ISONICOTINAMIDE | A | 1XH6 | 0.78 | ![]() |
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 | ![]() |