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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02507494

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.72
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B,C,D1PZG0.73
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA1DRV0.73
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B2EWD0.73
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B,C,D1PZF0.73
CNACARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDEA,B1SZC0.73
CNACARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDEA1A260.73
CNACARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDEA,B2OD20.73
3BK(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-
dichlorophenyl)methylamino]purin-
9-yl]-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZK0.75
ABR(R)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
A1K5E0.74
3AA3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATEA,B,E,F1F6M0.75
DBIPHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-
BENZOIMIDAZOL-1-YL)-4-HYDROXY-2-
HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-YL] ESTER
A1ID80.75
DG1(4S)-ISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE
A2PR20.71
3GO4-[[(2R,3S,4R,5R)-5-[6-amino-8-
(quinolin-6-ylmethylamino)purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
A3FZM0.73
1DA1-DEAZA-ADENOSINEA1ADD0.77
1RB1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-
5'-PHOSPHATE
A1L5K0.74
AD33-DEAZA-ADENOSINEA,B1KIE0.77
AD33-DEAZA-ADENOSINEA,B,C,D2ZIZ0.77
AD33-DEAZA-ADENOSINEA,B1R4F0.77
AD33-DEAZA-ADENOSINEA,B1HP00.77
ANZA2V0C0.7
ANZA,B,D,F2V0G0.7
475N-[oxo(pyridin-2-ylamino)acetyl]-
beta-D-glucopyranosylamine
A3CUV0.72
8IDNICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDEA,B,C,D2HCY0.72
DL8N-[(4-PHENYL-1H-1,2,3-TRIAZOL-1-
YL)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE
A2PYI0.76
2SC(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-
a]pyrimidin-3-yl)methanol
A2R3O0.71
1DG(4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE
A2CIG0.71
ABS(S)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
A1K5F0.74