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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03339414

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
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.73
7912-PHENYLMALONIC ACIDA1O4P0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.7
4HP4-HYDROXYPHENYLACETATEA2YYJ0.7
4HP4-HYDROXYPHENYLACETATEA2YYM0.7
4HP4-HYDROXYPHENYLACETATEB1AI60.7
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.7
3BZ3-chlorobenzoateX2QVZ0.7
3BZ3-chlorobenzoateX2QVX0.7
1744-CHLORO-BENZOIC ACIDX3DLP0.7
1744-CHLORO-BENZOIC ACIDX1T5D0.7
26CA,B2F7I0.76
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.79
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.79
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.77
AC01-PHENYLETHANONEA1ZK10.71
AC01-PHENYLETHANONEA1ZK40.71
4FCA1YSG0.77
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.78
5PV5-PHENYLVALERIC ACIDA,B2AY90.76
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.75
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.73
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.73