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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01821051

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,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.8
173BENZOYL-FORMIC ACIDA,B1SZE0.86
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.78
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.78
5PV5-PHENYLVALERIC ACIDA,B2AY90.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.77
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.73
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
ANQACENAPHTHENEQUINONEH,J1OAX0.7
4FCA1YSG0.72
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
7912-PHENYLMALONIC ACIDA1O4P0.71
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
AC01-PHENYLETHANONEA1ZK10.8
AC01-PHENYLETHANONEA1ZK40.8
4MA4-METHYLBENZOIC ACIDA,H2HRG0.77
26CA,B2F7I0.72
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.73