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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00106482

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.77
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.77
3HB3-HYDROXYBENZOIC ACIDA2DKH0.77
26CA,B2F7I0.8
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.71
4FCA1YSG0.8
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.73
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.87
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.7
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.75
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.72
3BZ3-chlorobenzoateX2QVZ0.79
3BZ3-chlorobenzoateX2QVX0.79
34D3,5-DIHYDROXYBENZOATEA,B2BX70.71
34Z3,4-dichlorobenzoateX2QVY0.75
34Z3,4-dichlorobenzoateX2QW00.75
1744-CHLORO-BENZOIC ACIDX3DLP0.79
1744-CHLORO-BENZOIC ACIDX1T5D0.79
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.73
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.72
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.7
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.72
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.72
173BENZOYL-FORMIC ACIDA,B1SZE0.81