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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02388068

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.71
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CX50.73
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CXH0.73
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.73
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.77
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.77
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.77
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.77
T80METHYLPENTA(OXYETHYL) HEPTADECANOATEA,B1LBT0.82
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.83
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.83
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.83
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.83
TGLTRISTEAROYLGLYCEROLA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.83
TGLTRISTEAROYLGLYCEROLA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.83
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.83
TGLTRISTEAROYLGLYCEROLA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.83
TGLTRISTEAROYLGLYCEROLA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.83
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.83
2SP(1S)-2-(PHOSPHONOOXY)-1-[(STEAROYLOXY)METHYL]ETHYL STEARATEA1PUB0.72
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
OSUN-OCTANOYLSUCROSEA1PYY0.71
MYY(2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATEA,B1UN80.72
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
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
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5N0.72
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,C,D,E1P840.72
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1SIW0.72
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Q160.72
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5L0.72
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5I0.72
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.77
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.77
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,B2FCT0.71
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,B2FCV0.71
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,B2FCU0.71
PD7(2R)-3-(phosphonooxy)propane-1,2-
diyl diheptanoate		A2ZE90.71
6ULTETRACOSYL PALMITATEA,B2H260.75
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.77
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.77
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.77
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2FAF0.71
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B,C,D2FAH0.71
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2QZY0.71
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.73
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.73
CNSHEXADECYL OCTANOATEA,B1U9O0.76
CNSHEXADECYL OCTANOATEA1U9N0.76
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CXH0.73
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CX50.73
LPP2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATEA,B,C,D,E,F,
G,H		2BOY0.72
LPP2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATEA,B,C,D,E,F1HG40.72