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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02215720

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
A2F9A0.83
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.79
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.79
YML[(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-
TRIMETHYL-2-OXOOCTYL]PHOSPHONIC ACID
A,B2HFJ0.71
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.7
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.75
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.75
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.75
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.71
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.81
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.7
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.81
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.81
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.81
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.81
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.81
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.81
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.81
DGG1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-
HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-
3-[HEXADECANAL-1-YL]-GLYCEROL
A,B1CQX0.71
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.72
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.76
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.73
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.73
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.73
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.73
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVD0.74
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVE0.74
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.83
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.83
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.83
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.83
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.83
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.71
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.73
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.73
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.75
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.73
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.73
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.73
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.73
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.73
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.73
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.72
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.71
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.78
DGADIACYL GLYCEROLA,C2NLJ0.72
DGADIACYL GLYCEROLA,C1ZWI0.72
DGADIACYL GLYCEROLB,C1R3J0.72
DGADIACYL GLYCEROLC1K4D0.72
DGADIACYL GLYCEROLA,C1K4C0.72
DGADIACYL GLYCEROLC1R3K0.72
DGADIACYL GLYCEROLB,C1S5H0.72
DGADIACYL GLYCEROLC,H1R3I0.72
DGADIACYL GLYCEROLB,C1R3L0.72