Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02612230
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 |
XME![]() | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)- 4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQG | 0.72 | ![]() |
NHB![]() | N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)- 2-THIENYL]SULFONYL}AMINO)BENZAMIDE | A,B | 1W22 | 0.74 | ![]() |
RRR![]() | 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}- 1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN- 2-ONE | A | 1NFW | 0.74 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.73 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.73 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.73 | ![]() |
SBR![]() | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF7 | 0.71 | ![]() |
A2T![]() | N-[1-(3-METHYLBUTYL)PIPERIDIN-4- YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}- 4-PENTYLBENZAMIDE | A,B | 2IGY | 0.7 | ![]() |
736![]() | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN- 4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2- B]PYRIDINE | B | 2BED | 0.73 | ![]() |
XMI![]() | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQK | 0.74 | ![]() |
CNQ![]() | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.73 | ![]() |
XMJ![]() | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQL | 0.78 | ![]() |
311![]() | (3,3-dimethylpiperidin-1-yl)(6- (3-fluoro-4-methylphenyl)pyridin- 2-yl)methanone | A,B,D,E | 3CH6 | 0.7 | ![]() |
14C![]() | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C06 | 0.74 | ![]() |
14C![]() | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C0A | 0.74 | ![]() |
P17![]() | 6-(2,6-DICHLORO-PHENYL)-8-METHYL- 2-(3-METHYLSULFANYL-PHENYLAMINO)- 8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE | A,B | 1M52 | 0.7 | ![]() |
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 | ![]() |
RDR![]() | 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]- 1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2- C]PYRIDIN-2-YL]METHYL}PIPERAZIN- 2-ONE | A | 1NFX | 0.71 | ![]() |
D01![]() | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN- 1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4- OXIDE | A | 2D1J | 0.73 | ![]() |
796![]() | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]- 5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE- 2-CARBOXAMIDE | A | 2GU8 | 0.72 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.72 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.72 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.72 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.72 | ![]() |
FXA![]() | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)- 4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | A | 3CEN | 0.74 | ![]() |
I11![]() | [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN- 4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | H | 1UVS | 0.7 | ![]() |
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 | ![]() |
8ST![]() | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 0.73 | ![]() |
SBS![]() | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF8 | 0.71 | ![]() |
A1T![]() | 5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL- 4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN- 4-YL]PYRIDINE-2-CARBOXAMIDE | A | 2IGX | 0.71 | ![]() |
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 | ![]() |
5CH![]() | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.82 | ![]() |