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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02254908

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0PAcyclopentylacetic acidA,B3DWR0.81
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.81
DSB4,7-DIOXOSEBACIC ACIDA,B1I8J0.71
DSB4,7-DIOXOSEBACIC ACIDA1EB30.71
DSB4,7-DIOXOSEBACIC ACIDA,B1L6S0.71
DSB4,7-DIOXOSEBACIC ACIDA,B2C1H0.71
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.73
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.71
4AT5-OXOHEXANOIC ACIDA,B2EFY0.73
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.78
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.72
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.82
SHU4,6-DIOXOHEPTANOIC ACIDA1H7R0.74
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.75
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.75