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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00044111

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4MA4-METHYLBENZOIC ACIDA,H2HRG0.8
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.82
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.72
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
7912-PHENYLMALONIC ACIDA1O4P0.78
AC01-PHENYLETHANONEA1ZK10.72
AC01-PHENYLETHANONEA1ZK40.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
34Z3,4-dichlorobenzoateX2QVY0.71
34Z3,4-dichlorobenzoateX2QW00.71
3BZ3-chlorobenzoateX2QVZ0.75
3BZ3-chlorobenzoateX2QVX0.75
1744-CHLORO-BENZOIC ACIDX3DLP0.75
1744-CHLORO-BENZOIC ACIDX1T5D0.75
ANQACENAPHTHENEQUINONEH,J1OAX0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.74
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.74
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.73
4FCA1YSG0.77
5PV5-PHENYLVALERIC ACIDA,B2AY90.79
173BENZOYL-FORMIC ACIDA,B1SZE0.82
26CA,B2F7I0.77
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7