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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03914878

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
OOA3-OXOOCTANOIC ACIDA,B,C,D1H0M0.73
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.73
DSB4,7-DIOXOSEBACIC ACIDA,B1I8J0.81
DSB4,7-DIOXOSEBACIC ACIDA1EB30.81
DSB4,7-DIOXOSEBACIC ACIDA,B1L6S0.81
DSB4,7-DIOXOSEBACIC ACIDA,B2C1H0.81
4OX4-OXODECANEDIOIC ACIDA,B1L6Y0.8
4OX4-OXODECANEDIOIC ACIDA1GJP0.8
LIM3-OXO-PENTADECANOIC ACIDA2FCP0.71
LIM3-OXO-PENTADECANOIC ACIDA1UJW0.71
LIM3-OXO-PENTADECANOIC ACIDA1FCP0.71
AZ1AZELAIC ACIDA,B1TUF0.71
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.78
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.9
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.75
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.84
DECSEBACIC ACIDA,B,C,D1CLS0.71
SHU4,6-DIOXOHEPTANOIC ACIDA1H7R0.78
OHA10-oxohexadecanoic acidA,B,C,D2OD60.71
0PAcyclopentylacetic acidA,B3DWR0.74
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.84