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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03399913

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
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.71
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.71
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.74
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.7
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.72
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
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.77
PII2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-
PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-
1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE		A1GZQ0.71
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.72
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.71
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.71
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.71
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.71
TGLTRISTEAROYLGLYCEROLA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.71
TGLTRISTEAROYLGLYCEROLA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.71
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.71
TGLTRISTEAROYLGLYCEROLA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.71
TGLTRISTEAROYLGLYCEROLA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.71
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.71
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B2NXG0.71
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2NX30.71
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID		A2AGS0.77
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.73
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.73
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.81
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.81
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.81
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
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.81
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.81
DGADIACYL GLYCEROLA,C2NLJ0.79
DGADIACYL GLYCEROLA,C1ZWI0.79
DGADIACYL GLYCEROLB,C1R3J0.79
DGADIACYL GLYCEROLC1K4D0.79
DGADIACYL GLYCEROLA,C1K4C0.79
DGADIACYL GLYCEROLC1R3K0.79
DGADIACYL GLYCEROLB,C1S5H0.79
DGADIACYL GLYCEROLC,H1R3I0.79
DGADIACYL GLYCEROLB,C1R3L0.79
PGT(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE		H,L,M2HHK0.71
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWG0.72
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWF0.72
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWH0.72
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.71
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.82
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.82
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.82
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.73
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.7
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.7
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.7
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.7
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.7
OSUN-OCTANOYLSUCROSEA1PYY0.75
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.73
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		M1E6X0.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B2E400.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A2VWG0.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B3EQO0.71
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.75
PGM1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-
3-[PHOSPHO-RAC-(1-GLYCEROL)]		A1N890.72
PGM1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-
3-[PHOSPHO-RAC-(1-GLYCEROL)]		A1TUK0.72
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.71
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.71
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C,E,F,G2ABM0.72
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5I0.72
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y4Z0.72
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5N0.72
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Q160.72
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.81
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.81
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.81
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.81
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.78
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.75
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE		A1X6U0.7
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2CYD0.71
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2DB40.71
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.71
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C2BHW0.71
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2BL20.71
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,F,I,J,
K,L,M,X		1JB00.71
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,F,H,
K,L,T,V,Z		3A0H0.71
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.71
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.71
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		1RWT0.71
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.71