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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005329

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.72
4HP4-HYDROXYPHENYLACETATEA2YYJ0.72
4HP4-HYDROXYPHENYLACETATEA2YYM0.72
4HP4-HYDROXYPHENYLACETATEB1AI60.72
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.72
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.8
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.7
4MA4-METHYLBENZOIC ACIDA,H2HRG0.82
26CA,B2F7I0.76
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
1744-CHLORO-BENZOIC ACIDX3DLP0.73
1744-CHLORO-BENZOIC ACIDX1T5D0.73
3BZ3-chlorobenzoateX2QVZ0.73
3BZ3-chlorobenzoateX2QVX0.73
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.73
4FCA1YSG0.77
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.7
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.76
1LPTRANYLCYPROMINEA,B1OJB0.7
7912-PHENYLMALONIC ACIDA1O4P0.76
3PL3-PHENYLPROPANALE1Y3G0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.72
173BENZOYL-FORMIC ACIDA,B1SZE0.88
5PV5-PHENYLVALERIC ACIDA,B2AY90.83