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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00492287

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1LPTRANYLCYPROMINEA,B1OJB0.76
7912-PHENYLMALONIC ACIDA1O4P0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.78
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.7
4HP4-HYDROXYPHENYLACETATEA2YYJ0.7
4HP4-HYDROXYPHENYLACETATEA2YYM0.7
4HP4-HYDROXYPHENYLACETATEB1AI60.7
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.7
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
4MA4-METHYLBENZOIC ACIDA,H2HRG0.82
26CA,B2F7I0.76
AC01-PHENYLETHANONEA1ZK10.89
AC01-PHENYLETHANONEA1ZK40.89
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.75
4FCA1YSG0.77
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.7
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.76
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.71
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.77
173BENZOYL-FORMIC ACIDA,B1SZE0.81
3PL3-PHENYLPROPANALE1Y3G0.74
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.8