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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052494

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.83
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.83
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.83
3BZ3-chlorobenzoateX2QVZ0.77
3BZ3-chlorobenzoateX2QVX0.77
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.71
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.75
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.75
34Z3,4-dichlorobenzoateX2QVY0.75
34Z3,4-dichlorobenzoateX2QW00.75
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.73
1744-CHLORO-BENZOIC ACIDX3DLP0.79
1744-CHLORO-BENZOIC ACIDX1T5D0.79
GB4(2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2IMA0.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.72
GB5(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2ILP0.74
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.72
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.82
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.73
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.72