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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01086531

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,R3PCB0.78
3HB3-HYDROXYBENZOIC ACIDA2DKH0.78
34D3,5-DIHYDROXYBENZOATEA,B2BX70.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.74
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.75
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
AC01-PHENYLETHANONEA1ZK10.71
AC01-PHENYLETHANONEA1ZK40.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.85
1744-CHLORO-BENZOIC ACIDX3DLP0.81
1744-CHLORO-BENZOIC ACIDX1T5D0.81
7912-PHENYLMALONIC ACIDA1O4P0.71
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.89
4FCA1YSG0.78
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.71
3BZ3-chlorobenzoateX2QVZ0.81
3BZ3-chlorobenzoateX2QVX0.81
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
173BENZOYL-FORMIC ACIDA,B1SZE0.81
34Z3,4-dichlorobenzoateX2QVY0.77
34Z3,4-dichlorobenzoateX2QW00.77
26CA,B2F7I0.77
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.7