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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03385358

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GCOGLUCONIC ACIDB,C,D1BGG0.72
GCOGLUCONIC ACIDA,B1XLF0.72
OOA3-OXOOCTANOIC ACIDA,B,C,D1H0M0.73
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.82
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.79
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.79
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.77
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.82
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.82
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.82
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.82
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.82
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.82
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.82
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.7
4AT5-OXOHEXANOIC ACIDA,B2EFY0.74
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.79
MEV(R)-MEVALONATEA,B1QAY0.72
MEV(R)-MEVALONATEA2HFU0.72
MEV(R)-MEVALONATEA,B1R310.72
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.71
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.71
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.71
LGTL-GLUCARIC ACIDA,B,C,D3CB30.71
LGTL-GLUCARIC ACIDA,B,C2PP30.71
6NAHEXANOIC ACIDA,B2IX40.79
6NAHEXANOIC ACIDA,B2IWZ0.79
6NAHEXANOIC ACIDA2IQ00.79
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.7
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.71
CS2D-MANNONIC ACIDA,B,C,D2QJM0.72
CS2D-MANNONIC ACIDA,B3DBN0.72
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.74
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.79
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.79
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE
A2D810.74
GKRD-GLUCARATEA3CXT0.71
GKRD-GLUCARATEA,B1JCT0.71
LIM3-OXO-PENTADECANOIC ACIDA2FCP0.72
LIM3-OXO-PENTADECANOIC ACIDA1UJW0.72
LIM3-OXO-PENTADECANOIC ACIDA1FCP0.72
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.71
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.72
LEALEVULINIC ACIDP1VWR0.71
LEALEVULINIC ACIDM,P1VWJ0.71
LEALEVULINIC ACIDA,B1W1Z0.71
LEALEVULINIC ACIDA,B1B4K0.71
LEALEVULINIC ACIDM,P1VWK0.71
LEALEVULINIC ACIDP1VWQ0.71
LEALEVULINIC ACIDA1UK80.71
LEALEVULINIC ACIDM,P1VWL0.71
LEALEVULINIC ACIDM,P1VWI0.71
LEALEVULINIC ACIDA1B4E0.71
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.71
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.71
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.71
SHVHEPTANOIC ACIDA1PO80.73