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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015565

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
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.77
3HB3-HYDROXYBENZOIC ACIDA2DKH0.77
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 ACIDA1O4P0.7
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.7
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.74
AC6P-HYDROXYACETOPHENONEA2GQ80.7
AC6P-HYDROXYACETOPHENONEX2O480.7
26CA,B2F7I0.76
5PV5-PHENYLVALERIC ACIDA,B2AY90.73
34D3,5-DIHYDROXYBENZOATEA,B2BX70.73
34Z3,4-dichlorobenzoateX2QVY0.76
34Z3,4-dichlorobenzoateX2QW00.76
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.88
4FCA1YSG0.77
173BENZOYL-FORMIC ACIDA,B1SZE0.8
4MA4-METHYLBENZOIC ACIDA,H2HRG0.84
1744-CHLORO-BENZOIC ACIDX3DLP0.8
1744-CHLORO-BENZOIC ACIDX1T5D0.8
3BZ3-chlorobenzoateX2QVZ0.8
3BZ3-chlorobenzoateX2QVX0.8
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7