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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02486118

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.79
26CA,B2F7I0.83
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.77
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
2NAnaphthalen-2-ylmethanolA,B,C3EE50.73
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.76
12M(2-ETHYLPHENYL)METHANOLA,B2F620.76
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.72
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
3BZ3-chlorobenzoateX2QVZ0.76
3BZ3-chlorobenzoateX2QVX0.76
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.75
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.75
1744-CHLORO-BENZOIC ACIDX3DLP0.76
1744-CHLORO-BENZOIC ACIDX1T5D0.76
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.81
34Z3,4-dichlorobenzoateX2QVY0.72
34Z3,4-dichlorobenzoateX2QW00.72
341(3,5-difluorophenyl)methanolC3EON0.71
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71