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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01005815

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AP2-AMINOPYRIDINEA1AEO0.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.72
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide
A,B3CPB0.74
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.77
9DA9-DEAZAADENINEA1L1R0.72
9DA9-DEAZAADENINEA1L1Q0.72
3AP3-AMINOPYRIDINEA1AEF0.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.7
APY2-AMINOMETHYL-PYRIDINEI1IVP0.7
985(2E)-3-{3-[6-(4-methyl-1,4-diazepan-
1-yl)pyrazin-2-yl]phenyl}prop-2-
enoic acid
A3F2A0.72
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.75
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.71
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.73
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.73
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.73
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID
B2I030.74
475N-[oxo(pyridin-2-ylamino)acetyl]-
beta-D-glucopyranosylamine
A3CUV0.73
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.79
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.79
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.79
3DD(2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-
C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID
A,B,C,D,E,F,
G,H
2H5L0.73
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID
A1RWN0.72
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.78
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7