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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013638

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.77
3HB3-HYDROXYBENZOIC ACIDA2DKH0.77
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.72
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.74
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.75
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.75
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
7912-PHENYLMALONIC ACIDA1O4P0.74
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.87
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.75
3BZ3-chlorobenzoateX2QVZ0.79
3BZ3-chlorobenzoateX2QVX0.79
34D3,5-DIHYDROXYBENZOATEA,B2BX70.71
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.72
4MA4-METHYLBENZOIC ACIDA,H2HRG0.85
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.7
26CA,B2F7I0.85
34Z3,4-dichlorobenzoateX2QVY0.75
34Z3,4-dichlorobenzoateX2QW00.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.76
1744-CHLORO-BENZOIC ACIDX3DLP0.79
1744-CHLORO-BENZOIC ACIDX1T5D0.79
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
4FCA1YSG0.84
173BENZOYL-FORMIC ACIDA,B1SZE0.81