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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02325551

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
C5X4,5-EPOXYPENTYL-BETA-D-XYLOSIDEA,B1RED0.7
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
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.7
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.7
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.7
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.7
OPMO1-PENTYL-MANNOSEA,B3GXY0.71
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWG0.71
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWF0.71
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWH0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D1YQ30.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A1LZI0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B2GMH0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A1WT10.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A1WT30.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A1LZJ0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D,N,O,
P,Q		2FBW0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D1YQ40.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D2H890.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL		A,B,C,D,N,O,
P,Q		2H880.71
ARI[O4]-ACETOXY-2,3-DIDEOXYFUCOSEA,B1D830.72
ARI[O4]-ACETOXY-2,3-DIDEOXYFUCOSEA,B,C,D1VAQ0.72
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.74
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.74
OSUN-OCTANOYLSUCROSEA1PYY0.71
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE		A,B1EKH0.76
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE		A,B1EKI0.76
DEGBUTYL ALPHA-D-MANNOPYRANOSIDEA1UWF0.71
DEGBUTYL ALPHA-D-MANNOPYRANOSIDEA,B1TR70.71
HHG(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATEA1Y9T0.71
HHG(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATEA,B3E3C0.71
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.71
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.71
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.71
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.71
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.71
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.71
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.71
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,F,H,
K,L,T,V,Z		3A0H0.72
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.72
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.72
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.71
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.71
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1WT20.71
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1R7T0.71
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1R7U0.71
C4X3,4-EPOXYBUTYL-BETA-D-XYLOSIDEA,B1REE0.7
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.72
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.72
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.72
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
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
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,F,I,J,
K,L,M,X		1JB00.72
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.72
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,L,R1Q900.72
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.72
IN1PROPIONIC ACID 2,2-DIHYDROXY-3-
(1-GLUCOPYRANOSYLOXY)-METHYLPROPYL ESTER		A,B4OVW0.79
ARWMETHYL BETA-D-ARABINOPYRANOSIDEA,B,C,D2BOJ0.71
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.71
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.71
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.7
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.7
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.71
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.71
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.71
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.7
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.7
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.7