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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012513

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
3BZ3-chlorobenzoateX2QVZ0.78
3BZ3-chlorobenzoateX2QVX0.78
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.71
1744-CHLORO-BENZOIC ACIDX3DLP0.78
1744-CHLORO-BENZOIC ACIDX1T5D0.78
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.73
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.75
3HB3-HYDROXYBENZOIC ACIDA2DKH0.75
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.73
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.76
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.72
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.74
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.71
3PL3-PHENYLPROPANALE1Y3G0.7
1LPTRANYLCYPROMINEA,B1OJB0.7
34Z3,4-dichlorobenzoateX2QVY0.74
34Z3,4-dichlorobenzoateX2QW00.74
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.71
26CA,B2F7I0.78
173BENZOYL-FORMIC ACIDA,B1SZE0.79
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.71