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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021256

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.75
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.83
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.77
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.77
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.77
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.77
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.72
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.87
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.74
6NAHEXANOIC ACIDA,B2IX40.71
6NAHEXANOIC ACIDA,B2IWZ0.71
6NAHEXANOIC ACIDA2IQ00.71
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.87
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.87
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.87
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.87
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.87
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.87
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.87
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.74
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.78
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.78
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.78
HC5(R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-
TRIMETHYLPROPAN-1-AMINIUM
A,B2H3W0.71
DGADIACYL GLYCEROLA,C2NLJ0.75
DGADIACYL GLYCEROLA,C1ZWI0.75
DGADIACYL GLYCEROLB,C1R3J0.75
DGADIACYL GLYCEROLC1K4D0.75
DGADIACYL GLYCEROLA,C1K4C0.75
DGADIACYL GLYCEROLC1R3K0.75
DGADIACYL GLYCEROLB,C1S5H0.75
DGADIACYL GLYCEROLC,H1R3I0.75
DGADIACYL GLYCEROLB,C1R3L0.75
HHG(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATEA1Y9T0.75
HHG(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATEA,B3E3C0.75
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE
A2D810.84
LIM3-OXO-PENTADECANOIC ACIDA2FCP0.73
LIM3-OXO-PENTADECANOIC ACIDA1UJW0.73
LIM3-OXO-PENTADECANOIC ACIDA1FCP0.73
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.76
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.76
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.74
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.77
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.77
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.77
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.77
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.77
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.76
OOA3-OXOOCTANOIC ACIDA,B,C,D1H0M0.71
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.84
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.84