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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03330417

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C1D1-(2-{[(6-AMINO-2-METHYLPYRIDIN-
3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-
3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-
1,4-DIHYDROPYRAZIN-2-OL
H,I2BXU0.7
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.71
255N-(tert-butyl)-4-[5-(pyridin-2-
ylamino)quinolin-3-yl]benzenesulfonamide
A,B2R9S0.77
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.72
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.75
CT94-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-
3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-
7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE
A1Y910.71
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
A2JKM0.79
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A,C2C5N0.72
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A1PXP0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.78
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.78
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.78
1MSN-[(4-methylpyrimidin-2-yl)carbamoyl]-
2-nitrobenzenesulfonamide
A3E9Y0.76
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.7
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide
A3EXO0.72
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.74
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.74
CDA2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-
1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-
PYRIDINYL)METHYL]ACETAMIDE
B,C1MU60.72
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.74
CK3N-[4-(2,4-DIMETHYL-1,3-THIAZOL-
5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE
A1PXK0.7
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.77
2AP2-AMINOPYRIDINEA1AEO0.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.73
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.77