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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02348891

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVD0.7
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVE0.7
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.88
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.79
OHA10-oxohexadecanoic acidA,B,C,D2OD60.72
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.77
NONMETHYL NONANOATE (ESTER)A1QQS0.7
NONMETHYL NONANOATE (ESTER)H1CLZ0.7
NONMETHYL NONANOATE (ESTER)H1CLY0.7
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.76
OOA3-OXOOCTANOIC ACIDA,B,C,D1H0M0.7
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.71
4OX4-OXODECANEDIOIC ACIDA,B1L6Y0.7
4OX4-OXODECANEDIOIC ACIDA1GJP0.7
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.78
DSB4,7-DIOXOSEBACIC ACIDA,B1I8J0.72
DSB4,7-DIOXOSEBACIC ACIDA1EB30.72
DSB4,7-DIOXOSEBACIC ACIDA,B1L6S0.72
DSB4,7-DIOXOSEBACIC ACIDA,B2C1H0.72
0PAcyclopentylacetic acidA,B3DWR0.84