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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00291598

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.72
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.75
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W
3CX50.75
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W
3CXH0.75
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.7
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.7
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.71
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.71
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.79
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.79
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.79
2SP(1S)-2-(PHOSPHONOOXY)-1-[(STEAROYLOXY)METHYL]ETHYL STEARATEA1PUB0.73
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.79
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.79
CNSHEXADECYL OCTANOATEA,B1U9O0.78
CNSHEXADECYL OCTANOATEA1U9N0.78
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.71
DECSEBACIC ACIDA,B,C,D1CLS0.72
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.79
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.79
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.79
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.79
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.8
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.8
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.8
6ULTETRACOSYL PALMITATEA,B2H260.77
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.75
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.75
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5N0.73
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,C,D,E1P840.73
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1SIW0.73
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Q160.73
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5L0.73
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5I0.73
AZ1AZELAIC ACIDA,B1TUF0.72
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.73
DGADIACYL GLYCEROLA,C2NLJ0.77
DGADIACYL GLYCEROLA,C1ZWI0.77
DGADIACYL GLYCEROLB,C1R3J0.77
DGADIACYL GLYCEROLC1K4D0.77
DGADIACYL GLYCEROLA,C1K4C0.77
DGADIACYL GLYCEROLC1R3K0.77
DGADIACYL GLYCEROLB,C1S5H0.77
DGADIACYL GLYCEROLC,H1R3I0.77
DGADIACYL GLYCEROLB,C1R3L0.77
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W
3CXH0.75
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W
3CX50.75