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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01443568

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide
A3EXO0.71
255N-(tert-butyl)-4-[5-(pyridin-2-
ylamino)quinolin-3-yl]benzenesulfonamide
A,B2R9S0.77
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.77
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.7
CKIN-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-
8-SULFONAMIDE
A2CSN0.7
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.73
BII2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-
4-[(3R)-3-(METHYLAMINO)PYRROLIDIN-
1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN-
4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE
A2JKM0.81
D915-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-
4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-
1-YL}SULFONYL)-1H-INDOLE
A1WU10.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.71
984CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-
2-[(1-METHYL)-PIPERIDIN]-4-YL-3-
PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-
2-YL}AMINE
A1PMN0.7
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.73
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.74
6284-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-
A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE
A1YKR0.7
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.77
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.72
1MSN-[(4-methylpyrimidin-2-yl)carbamoyl]-
2-nitrobenzenesulfonamide
A3E9Y0.73
880CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-
2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-
4-YL]-PYRIMIDIN-2-YL}AMINE
A1PMQ0.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.73
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2IZT0.73
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2CDZ0.73
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A,B2F570.73