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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02469814

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B2FCT0.75
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,B2FCV0.75
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,B2FCU0.75
MYY(2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATEA,B1UN80.73
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2FAF0.75
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B,C,D2FAH0.75
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2QZY0.75
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
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.74
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.78
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.78
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.78
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.78
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CX50.74
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CXH0.74
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.7
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.7
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE		A,B2IVD0.72
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE		A,B2IVE0.72
NONMETHYL NONANOATE (ESTER)A1QQS0.73
NONMETHYL NONANOATE (ESTER)H1CLZ0.73
NONMETHYL NONANOATE (ESTER)H1CLY0.73
T80METHYLPENTA(OXYETHYL) HEPTADECANOATEA,B1LBT0.88
6ULTETRACOSYL PALMITATEA,B2H260.8
2SP(1S)-2-(PHOSPHONOOXY)-1-[(STEAROYLOXY)METHYL]ETHYL STEARATEA1PUB0.73
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
PD7(2R)-3-(phosphonooxy)propane-1,2-
diyl diheptanoate		A2ZE90.72
OSUN-OCTANOYLSUCROSEA1PYY0.75
LPP2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATEA,B,C,D,E,F,
G,H		2BOY0.73
LPP2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATEA,B,C,D,E,F1HG40.73
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.84
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.84
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.84
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.84
TGLTRISTEAROYLGLYCEROLA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.84
TGLTRISTEAROYLGLYCEROLA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.84
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.84
TGLTRISTEAROYLGLYCEROLA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.84
TGLTRISTEAROYLGLYCEROLA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.84
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.84
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CXH0.74
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CX50.74
CNSHEXADECYL OCTANOATEA,B1U9O0.81
CNSHEXADECYL OCTANOATEA1U9N0.81
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
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.75
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
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.76
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.76
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.76
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.78
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.78
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.78
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.78
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.78