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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00016039

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C,E,F,G2ABM0.71
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5I0.71
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y4Z0.71
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5N0.71
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Q160.71
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.73
PGM1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-
3-[PHOSPHO-RAC-(1-GLYCEROL)]		A1N890.71
PGM1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-
3-[PHOSPHO-RAC-(1-GLYCEROL)]		A1TUK0.71
GCOGLUCONIC ACIDB,C,D1BGG0.7
GCOGLUCONIC ACIDA,B1XLF0.7
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.75
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.72
CS2D-MANNONIC ACIDA,B,C,D2QJM0.7
CS2D-MANNONIC ACIDA,B3DBN0.7
HHG(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATEA1Y9T0.79
HHG(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATEA,B3E3C0.79
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		M1E6X0.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B2E400.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A2VWG0.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B3EQO0.73
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.73
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2CYD0.7
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2DB40.7
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.7
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C2BHW0.7
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2BL20.7
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,F,I,J,
K,L,M,X		1JB00.7
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,F,H,
K,L,T,V,Z		3A0H0.7
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.7
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.7
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		1RWT0.7
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.7
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
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
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.73
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.73
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.7
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.7
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.75
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
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
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.71
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPE,I6TMN0.75
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPI1DS20.75
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
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.72
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1TIW0.76
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA3E2R0.76
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1KB00.76
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.72
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.7
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.73
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.85
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWG0.75
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWF0.75
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWH0.75
VADDEAMINOHYDROXYVALINEC1CWO0.7
PGT(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE		H,L,M2HHK0.7