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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02181546

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.7
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.7
4FCA1YSG0.79
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.72
4HP4-HYDROXYPHENYLACETATEA2YYJ0.72
4HP4-HYDROXYPHENYLACETATEA2YYM0.72
4HP4-HYDROXYPHENYLACETATEB1AI60.72
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.72
7912-PHENYLMALONIC ACIDA1O4P0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.78
AC01-PHENYLETHANONEA1ZK10.72
AC01-PHENYLETHANONEA1ZK40.72
1744-CHLORO-BENZOIC ACIDX3DLP0.74
1744-CHLORO-BENZOIC ACIDX1T5D0.74
3BZ3-chlorobenzoateX2QVZ0.74
3BZ3-chlorobenzoateX2QVX0.74
34Z3,4-dichlorobenzoateX2QVY0.71
34Z3,4-dichlorobenzoateX2QW00.71
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.75
3HB3-HYDROXYBENZOIC ACIDA2DKH0.75
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.81
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.75
4MA4-METHYLBENZOIC ACIDA,H2HRG0.79
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.73
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.71
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.71
26CA,B2F7I0.78
173BENZOYL-FORMIC ACIDA,B1SZE0.81