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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03033754

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GKRD-GLUCARATEA3CXT0.72
GKRD-GLUCARATEA,B1JCT0.72
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.7
CS2D-MANNONIC ACIDA,B,C,D2QJM0.73
CS2D-MANNONIC ACIDA,B3DBN0.73
PMLPIMELIC ACIDA1KGT0.71
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.77
LEALEVULINIC ACIDP1VWR0.73
LEALEVULINIC ACIDM,P1VWJ0.73
LEALEVULINIC ACIDA,B1W1Z0.73
LEALEVULINIC ACIDA,B1B4K0.73
LEALEVULINIC ACIDM,P1VWK0.73
LEALEVULINIC ACIDP1VWQ0.73
LEALEVULINIC ACIDA1UK80.73
LEALEVULINIC ACIDM,P1VWL0.73
LEALEVULINIC ACIDM,P1VWI0.73
LEALEVULINIC ACIDA1B4E0.73
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.74
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.76
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.76
6NAHEXANOIC ACIDA,B2IX40.81
6NAHEXANOIC ACIDA,B2IWZ0.81
6NAHEXANOIC ACIDA2IQ00.81
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.76
SHFLAEVULINIC ACIDA1YLV0.74
SHFLAEVULINIC ACIDA1H7N0.74
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.73
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.73
GCOGLUCONIC ACIDB,C,D1BGG0.73
GCOGLUCONIC ACIDA,B1XLF0.73
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPE,I6TMN0.71
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPI1DS20.71
SHO5-HYDROXYLAEVULINIC ACIDA1W310.74
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.76
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.73
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.77
SHU4,6-DIOXOHEPTANOIC ACIDA1H7R0.73
4AT5-OXOHEXANOIC ACIDA,B2EFY0.76
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.73
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.74
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.78
LGTL-GLUCARIC ACIDA,B,C,D3CB30.72
LGTL-GLUCARIC ACIDA,B,C2PP30.72
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.79
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.72
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.72
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.72
SHVHEPTANOIC ACIDA1PO80.75