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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03187493

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
34D3,5-DIHYDROXYBENZOATEA,B2BX70.7
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.72
4FCA1YSG0.79
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.83
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.71
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.76
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.72
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.74
3HB3-HYDROXYBENZOIC ACIDA2DKH0.74
34Z3,4-dichlorobenzoateX2QVY0.71
34Z3,4-dichlorobenzoateX2QW00.71
3BZ3-chlorobenzoateX2QVZ0.75
3BZ3-chlorobenzoateX2QVX0.75
1744-CHLORO-BENZOIC ACIDX3DLP0.75
1744-CHLORO-BENZOIC ACIDX1T5D0.75
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.75
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.7
4MA4-METHYLBENZOIC ACIDA,H2HRG0.85
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.76
26CA,B2F7I0.78
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.71
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.7