Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01723114
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 |
XMG![]() | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]- 2-PIPERAZINECARBOXYLIC ACID | A | 1IQI | 0.7 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.76 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.76 | ![]() |
CKI![]() | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE- 8-SULFONAMIDE | A | 2CSN | 0.73 | ![]() |
A2T![]() | N-[1-(3-METHYLBUTYL)PIPERIDIN-4- YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}- 4-PENTYLBENZAMIDE | A,B | 2IGY | 0.7 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.74 | ![]() |
14C![]() | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C06 | 0.72 | ![]() |
14C![]() | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C0A | 0.72 | ![]() |
PM2![]() | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE | A,B,C,D | 2BM2 | 0.74 | ![]() |
XME![]() | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)- 4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQG | 0.74 | ![]() |
5CH![]() | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.75 | ![]() |
SBS![]() | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF8 | 0.7 | ![]() |
XMJ![]() | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQL | 0.78 | ![]() |
CNQ![]() | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.74 | ![]() |
FXA![]() | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)- 4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | A | 3CEN | 0.77 | ![]() |
ZEN![]() | T | 1J17 | 0.77 | ![]() | |
ZEN![]() | A | 1QL9 | 0.77 | ![]() | |
ZEN![]() | T | 1V2K | 0.77 | ![]() | |
ZEN![]() | A | 1QL8 | 0.77 | ![]() | |
ZEN![]() | A | 1QL7 | 0.77 | ![]() | |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.71 | ![]() |
XMK![]() | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | A | 1IQM | 0.75 | ![]() |
ZZY![]() | 1-[(2-NITROPHENYL)SULFONYL]-1H- PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE | A | 2WD1 | 0.71 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.72 | ![]() |
8ST![]() | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 0.77 | ![]() |
SBR![]() | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF7 | 0.7 | ![]() |
XMI![]() | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQK | 0.76 | ![]() |
XMD![]() | (2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]- 2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER | A | 1IQF | 0.71 | ![]() |
MYT![]() | METYRAPONE | A | 1PHG | 0.72 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.72 | ![]() |
274![]() | (3Z)-N-(3-CHLOROPHENYL)-3-({3,5- DIMETHYL-4-[(4-METHYLPIPERAZIN- 1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)- N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE | A | 2J7T | 0.73 | ![]() |
XMF![]() | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)- 4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQH | 0.71 | ![]() |
IHZ![]() | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.7 | ![]() |
XMB![]() | 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]- 1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]- THIOMORPHOLINE-1,1-DIOXIDE | A | 1IQE | 0.72 | ![]() |
XMC![]() | 4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]- 2-PIPERAZINYL]CARBONYL]MORPHOLINE | A | 1IQN | 0.72 | ![]() |