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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005038

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2MP3,4-DIMETHYLPHENOLA1L5O0.77
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.7
34D3,5-DIHYDROXYBENZOATEA,B2BX70.75
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.74
43M4-CHLORO-3-METHYLPHENOLA2P7A0.7
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.73
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.7
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.78
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.7
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.75
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.89
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.75
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.81
3HB3-HYDROXYBENZOIC ACIDA2DKH0.81
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.75
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.73
2LP2-ALLYLPHENOLA1OV50.78
1NP1-NAPHTHOLX2ZVQ0.7