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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02546222

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.77
4HP4-HYDROXYPHENYLACETATEA2YYJ0.77
4HP4-HYDROXYPHENYLACETATEA2YYM0.77
4HP4-HYDROXYPHENYLACETATEB1AI60.77
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.77
341(3,5-difluorophenyl)methanolC3EON0.73
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.88
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.74
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.72
12M(2-ETHYLPHENYL)METHANOLA,B2F620.71
26CA,B2F7I0.79
7912-PHENYLMALONIC ACIDA1O4P0.73
173BENZOYL-FORMIC ACIDA,B1SZE0.77
5PV5-PHENYLVALERIC ACIDA,B2AY90.76
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
4FCA1YSG0.78
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.71
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.77
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.7
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.75
4MA4-METHYLBENZOIC ACIDA,H2HRG0.77