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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01731963

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.77
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.72
26CA,B2F7I0.82
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.71
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.78
173BENZOYL-FORMIC ACIDA,B1SZE0.84
34D3,5-DIHYDROXYBENZOATEA,B2BX70.75
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.73
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.79
3HB3-HYDROXYBENZOIC ACIDA2DKH0.79
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.73
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.72
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.73
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.73
1744-CHLORO-BENZOIC ACIDX3DLP0.82
1744-CHLORO-BENZOIC ACIDX1T5D0.82
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.72
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.71
3BZ3-chlorobenzoateX2QVZ0.82
3BZ3-chlorobenzoateX2QVX0.82
34Z3,4-dichlorobenzoateX2QVY0.78
34Z3,4-dichlorobenzoateX2QW00.78