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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813810

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AC01-PHENYLETHANONEA1ZK10.7
AC01-PHENYLETHANONEA1ZK40.7
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.77
4FCA1YSG0.82
5PV5-PHENYLVALERIC ACIDA,B2AY90.73
26CA,B2F7I0.81
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.79
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.74
1744-CHLORO-BENZOIC ACIDX3DLP0.73
1744-CHLORO-BENZOIC ACIDX1T5D0.73
3BZ3-chlorobenzoateX2QVZ0.73
3BZ3-chlorobenzoateX2QVX0.73
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.79
4MA4-METHYLBENZOIC ACIDA,H2HRG0.85
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
7912-PHENYLMALONIC ACIDA1O4P0.71
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.76
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.83
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.7