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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011813

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
173BENZOYL-FORMIC ACIDA,B1SZE0.85
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.78
3HB3-HYDROXYBENZOIC ACIDA2DKH0.78
26CA,B2F7I0.83
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.72
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.78
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.72
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.71
34D3,5-DIHYDROXYBENZOATEA,B2BX70.74
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.74
1744-CHLORO-BENZOIC ACIDX3DLP0.81
1744-CHLORO-BENZOIC ACIDX1T5D0.81
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.73
3BZ3-chlorobenzoateX2QVZ0.81
3BZ3-chlorobenzoateX2QVX0.81
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.73
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.72
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.73
34Z3,4-dichlorobenzoateX2QVY0.77
34Z3,4-dichlorobenzoateX2QW00.77