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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007339

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
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.83
7912-PHENYLMALONIC ACIDA1O4P0.72
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.7
1744-CHLORO-BENZOIC ACIDX3DLP0.74
1744-CHLORO-BENZOIC ACIDX1T5D0.74
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.74
26CA,B2F7I0.76
4MA4-METHYLBENZOIC ACIDA,H2HRG0.81
3BZ3-chlorobenzoateX2QVZ0.74
3BZ3-chlorobenzoateX2QVX0.74
34Z3,4-dichlorobenzoateX2QVY0.71
34Z3,4-dichlorobenzoateX2QW00.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.75
3HB3-HYDROXYBENZOIC ACIDA2DKH0.75
173BENZOYL-FORMIC ACIDA,B1SZE0.77
4FCA1YSG0.77
34D3,5-DIHYDROXYBENZOATEA,B2BX70.71
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
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.71
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71