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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02342287

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.71
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.71
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.71
OOA3-OXOOCTANOIC ACIDA,B,C,D1H0M0.72
LIM3-OXO-PENTADECANOIC ACIDA2FCP0.71
LIM3-OXO-PENTADECANOIC ACIDA1UJW0.71
LIM3-OXO-PENTADECANOIC ACIDA1FCP0.71
LMLISOBUTYL MALONIC ACIDA1BFW0.88
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.72
0PAcyclopentylacetic acidA,B3DWR0.7
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.74
6NAHEXANOIC ACIDA,B2IX40.73
6NAHEXANOIC ACIDA,B2IWZ0.73
6NAHEXANOIC ACIDA2IQ00.73
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.76
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.76
4MV4-METHYL VALERIC ACIDA2ECO0.76
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.76
4MV4-METHYL VALERIC ACIDA,B2COG0.76
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQA0.7
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQ80.7
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.75
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
A2F9A0.7
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.78