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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00480190

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
34D3,5-DIHYDROXYBENZOATEA,B2BX70.86
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.83
173BENZOYL-FORMIC ACIDA,B1SZE0.82
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.81
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.79
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.79
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.77
26CA,B2F7I0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.76
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.75
1744-CHLORO-BENZOIC ACIDX3DLP0.74
1744-CHLORO-BENZOIC ACIDX1T5D0.74
3BZ3-chlorobenzoateX2QVZ0.74
3BZ3-chlorobenzoateX2QVX0.74
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.74
2LP2-ALLYLPHENOLA1OV50.74
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.73
2MP3,4-DIMETHYLPHENOLA1L5O0.72
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.72
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.71
34Z3,4-dichlorobenzoateX2QVY0.71
34Z3,4-dichlorobenzoateX2QW00.71
142CARBIDOPAA,B1JS30.71
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.7
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.7