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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02481073

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.73
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.73
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.73
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
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.8
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.8
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.8
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.8
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.8
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.76
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
A2F9A0.81
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.71
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.71
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.71
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.71
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.71
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.71
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.71
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.71
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.71
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.71
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.77
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.77
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVD0.8
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVE0.8
DGADIACYL GLYCEROLA,C2NLJ0.7
DGADIACYL GLYCEROLA,C1ZWI0.7
DGADIACYL GLYCEROLB,C1R3J0.7
DGADIACYL GLYCEROLC1K4D0.7
DGADIACYL GLYCEROLA,C1K4C0.7
DGADIACYL GLYCEROLC1R3K0.7
DGADIACYL GLYCEROLB,C1S5H0.7
DGADIACYL GLYCEROLC,H1R3I0.7
DGADIACYL GLYCEROLB,C1R3L0.7
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.7