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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02367317

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.76
ERI4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-
BETA-L-ARABINO-HEXOPYRANOSE
A,B1D830.71
ERI4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-
BETA-L-ARABINO-HEXOPYRANOSE
A,B1EKH0.71
ERI4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-
BETA-L-ARABINO-HEXOPYRANOSE
A,B1EKI0.71
ERI4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-
BETA-L-ARABINO-HEXOPYRANOSE
A,B,C,D1VAQ0.71
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
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.74
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.74
OSUN-OCTANOYLSUCROSEA1PYY0.76
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.76
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.76
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.76
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.76
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.76
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVD0.71
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVE0.71
MRCMUPIROCINA1JZS0.7
MRCMUPIROCINA,T1FFY0.7
MRCMUPIROCINA1QU30.7
MRCMUPIROCINA,T1QU20.7
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,F,I,J,
K,L,M,X
1JB00.74
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.74
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,L,R1Q900.74
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.74
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
PIOL-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4,5-
BISPHOSPHATE, D(+)SN1,2DI-O-OCTANOYLGLYCERYL
A1HFA0.71
PIOL-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4,5-
BISPHOSPHATE, D(+)SN1,2DI-O-OCTANOYLGLYCERYL
A2H3V0.71
DGG1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-
HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-
3-[HEXADECANAL-1-YL]-GLYCEROL
A,B1CQX0.74
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A2C9E0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)M,N,O1PPR0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C2BHW0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
G,H,I,J
1RWT0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,F,H,
K,L,T,V,Z
3A0H0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.72
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.76
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.76
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.76
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.76
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,B2FCT0.76
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,B2FCV0.76
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,B2FCU0.76
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B2FAF0.76
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B,C,D2FAH0.76
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B2QZY0.76
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
A,B,C,D,F,H,
K,L,T,V,Z
3A0H0.74
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
A,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.74
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
A,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.74
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.74
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.74
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.74
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.74
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.74
PII2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-
PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-
1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE
A1GZQ0.72