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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020174

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.75
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.77
3HB3-HYDROXYBENZOIC ACIDA2DKH0.77
3BZ3-chlorobenzoateX2QVZ0.78
3BZ3-chlorobenzoateX2QVX0.78
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.72
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.73
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.71
1744-CHLORO-BENZOIC ACIDX3DLP0.78
1744-CHLORO-BENZOIC ACIDX1T5D0.78
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.74
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.74
26CA,B2F7I0.87
34D3,5-DIHYDROXYBENZOATEA,B2BX70.73
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.74
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.74
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.72
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.76
34Z3,4-dichlorobenzoateX2QVY0.74
34Z3,4-dichlorobenzoateX2QW00.74
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.72
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.81
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
173BENZOYL-FORMIC ACIDA,B1SZE0.79