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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02390468

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVD0.7
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVE0.7
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.74
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.74
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.74
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.7
PIOL-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4,5-
BISPHOSPHATE, D(+)SN1,2DI-O-OCTANOYLGLYCERYL
A1HFA0.7
PIOL-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4,5-
BISPHOSPHATE, D(+)SN1,2DI-O-OCTANOYLGLYCERYL
A2H3V0.7
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
A,B,C,D,F,H,
K,L,T,V,Z
3A0H0.71
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
A,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.71
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
A,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.71
DQA1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACIDA1J2Y0.71
PII2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-
PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-
1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE
A1GZQ0.71
DSU((2R,3S,4S,5S)-3,4-DIHYDROXY-5-
(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-
3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-
2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-
2-YL)METHYL NONANOATE
A,B2FCT0.7
DSU((2R,3S,4S,5S)-3,4-DIHYDROXY-5-
(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-
3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-
2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-
2-YL)METHYL NONANOATE
A,B2FCV0.7
DSU((2R,3S,4S,5S)-3,4-DIHYDROXY-5-
(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-
3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-
2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-
2-YL)METHYL NONANOATE
A,B2FCU0.7
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.74
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.74
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
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B2FAF0.7
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B,C,D2FAH0.7
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B2QZY0.7
DGADIACYL GLYCEROLA,C2NLJ0.71
DGADIACYL GLYCEROLA,C1ZWI0.71
DGADIACYL GLYCEROLB,C1R3J0.71
DGADIACYL GLYCEROLC1K4D0.71
DGADIACYL GLYCEROLA,C1K4C0.71
DGADIACYL GLYCEROLC1R3K0.71
DGADIACYL GLYCEROLB,C1S5H0.71
DGADIACYL GLYCEROLC,H1R3I0.71
DGADIACYL GLYCEROLB,C1R3L0.71
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.71
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.82
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.82
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.82
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.82
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.82
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,F,I,J,
K,L,M,X
1JB00.71
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.71
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,L,R1Q900.71
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.71
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
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.7
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.73
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.73
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
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.72
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.72
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.74
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
A2F9A0.74
OSUN-OCTANOYLSUCROSEA1PYY0.7