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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02903896

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.78
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.76
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.76
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.83
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.73
OOA3-OXOOCTANOIC ACIDA,B,C,D1H0M0.73
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.71
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.74
GKRD-GLUCARATEA3CXT0.74
GKRD-GLUCARATEA,B1JCT0.74
4AT5-OXOHEXANOIC ACIDA,B2EFY0.74
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.84
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.84
SHO5-HYDROXYLAEVULINIC ACIDA1W310.73
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.76
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.73
6NAHEXANOIC ACIDA,B2IX40.79
6NAHEXANOIC ACIDA,B2IWZ0.79
6NAHEXANOIC ACIDA2IQ00.79
HIU(2R)-3-HYDROXY-2-METHYLPROPANOIC ACIDA3BPT0.7
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.71
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.81
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.74
LGTL-GLUCARIC ACIDA,B,C,D3CB30.74
LGTL-GLUCARIC ACIDA,B,C2PP30.74
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.74
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.74
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.74
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.73
GCOGLUCONIC ACIDB,C,D1BGG0.76
GCOGLUCONIC ACIDA,B1XLF0.76
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE
A2D810.74
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.86
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.86
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.86
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.86
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.86
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.86
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.86
CS2D-MANNONIC ACIDA,B,C,D2QJM0.76
CS2D-MANNONIC ACIDA,B3DBN0.76
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.86
LIM3-OXO-PENTADECANOIC ACIDA2FCP0.72
LIM3-OXO-PENTADECANOIC ACIDA1UJW0.72
LIM3-OXO-PENTADECANOIC ACIDA1FCP0.72
MEV(R)-MEVALONATEA,B1QAY0.76
MEV(R)-MEVALONATEA2HFU0.76
MEV(R)-MEVALONATEA,B1R310.76
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
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.73
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