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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049846

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.82
3CAA,B2B770.78
173BENZOYL-FORMIC ACIDA,B1SZE0.75
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
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.89
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.89
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.79
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.85
34D3,5-DIHYDROXYBENZOATEA,B2BX70.84
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.74
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.82
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.78
3BZ3-chlorobenzoateX2QVZ0.76
3BZ3-chlorobenzoateX2QVX0.76
1592-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-
BENZOIC ACID
A,B1NME0.74
1744-CHLORO-BENZOIC ACIDX3DLP0.76
1744-CHLORO-BENZOIC ACIDX1T5D0.76
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.87
3HB3-HYDROXYBENZOIC ACIDA2DKH0.87
26CA,B2F7I0.78
34Z3,4-dichlorobenzoateX2QVY0.72
34Z3,4-dichlorobenzoateX2QW00.72
2LP2-ALLYLPHENOLA1OV50.72
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.75
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.75