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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02337423

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
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.74
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.75
GCUD-GLUCURONIC ACIDA1HMW0.75
GCUD-GLUCURONIC ACIDA2JCQ0.75
GCUD-GLUCURONIC ACIDA3HYA0.75
GCUD-GLUCURONIC ACIDA,B2FUQ0.75
GCUD-GLUCURONIC ACIDA1DBG0.75
GCUD-GLUCURONIC ACIDA1FCV0.75
GCUD-GLUCURONIC ACIDA1OFM0.75
GCUD-GLUCURONIC ACIDA,B3E7J0.75
GCUD-GLUCURONIC ACIDA1CB80.75
GCUD-GLUCURONIC ACIDA1HV60.75
GCUD-GLUCURONIC ACIDA1HMU0.75
GCUD-GLUCURONIC ACIDA,B,C3E800.75
GCUD-GLUCURONIC ACIDA,B2VZR0.75
GCUD-GLUCURONIC ACIDA2HYA0.75
GCUD-GLUCURONIC ACIDA1OFL0.75
GCUD-GLUCURONIC ACIDA,B2W870.75
GCUD-GLUCURONIC ACIDA1MQQ0.75
GCUD-GLUCURONIC ACIDA1HM20.75
GCUD-GLUCURONIC ACIDA1HYA0.75
GCUD-GLUCURONIC ACIDA2C4S0.75
GCUD-GLUCURONIC ACIDA4HYA0.75
GCUD-GLUCURONIC ACIDA1C4S0.75
GCUD-GLUCURONIC ACIDA1HM30.75
GCUD-GLUCURONIC ACIDA1DBO0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.75
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		M1E6X0.78
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B2E400.78
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A2VWG0.78
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B3EQO0.78
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.77
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.77
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID		A2AGS0.84
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.83
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.78
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.78
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.72
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.76
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWG0.82
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWF0.82
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWH0.82
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.74
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.74
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.71
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.71
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.77
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.77
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.79
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.79
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.79
OSUN-OCTANOYLSUCROSEA1PYY0.71
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.8
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.79
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.79
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.71
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE		A1X6U0.76
BEMbeta-D-mannuronic acidA2ZAA0.75
BEMbeta-D-mannuronic acidA2ZAC0.75
BEMbeta-D-mannuronic acidA2ZAB0.75
BEMbeta-D-mannuronic acidA1Y3N0.75
BEMbeta-D-mannuronic acidA1Y3P0.75
BEMbeta-D-mannuronic acidA,B1J1N0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.84
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.76
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.76
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.76
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.76
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.76
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.76
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.71
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C,E,F,G2ABM0.7
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5I0.7
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y4Z0.7
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5N0.7
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Q160.7
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.72
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.76
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.79
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.79
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.79
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.79
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.74
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
PGM1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-
3-[PHOSPHO-RAC-(1-GLYCEROL)]		A1N890.7
PGM1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-
3-[PHOSPHO-RAC-(1-GLYCEROL)]		A1TUK0.7
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.8
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.8
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.75
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.72
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.72
LGUALPHA-L-GULURONATEA2ZAC0.75
LGUALPHA-L-GULURONATEA2ZAA0.75
LGUALPHA-L-GULURONATEA,B2QJR0.75
LGUALPHA-L-GULURONATEA2ZAB0.75
LGUALPHA-L-GULURONATEA,B1J1N0.75
LGUALPHA-L-GULURONATEA1Y3P0.75
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.77
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.77
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.77
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.75
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.75
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.75
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.75
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.75
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.75
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,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
DGADIACYL GLYCEROLA,C2NLJ0.78
DGADIACYL GLYCEROLA,C1ZWI0.78
DGADIACYL GLYCEROLB,C1R3J0.78
DGADIACYL GLYCEROLC1K4D0.78
DGADIACYL GLYCEROLA,C1K4C0.78
DGADIACYL GLYCEROLC1R3K0.78
DGADIACYL GLYCEROLB,C1S5H0.78
DGADIACYL GLYCEROLC,H1R3I0.78
DGADIACYL GLYCEROLB,C1R3L0.78
MAVD-MANNURONIC ACIDA,B1J1N0.75
MAVD-MANNURONIC ACIDA1Y3P0.75
MAVD-MANNURONIC ACIDA,B,D2PYH0.75
MAVD-MANNURONIC ACIDA1Y3N0.75
MAVD-MANNURONIC ACIDA1HV60.75
IDRL-IDURONIC ACIDA2V380.75
IDRL-IDURONIC ACIDA1HM20.75
IDRL-IDURONIC ACIDA2ERM0.75
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.81
GTRGALACTURONIC ACIDA1KCD0.75
GTRGALACTURONIC ACIDA1KCC0.75
GTRGALACTURONIC ACIDA1N7Q0.75
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.72
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.72
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.72
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.72
TGLTRISTEAROYLGLYCEROLA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.72
TGLTRISTEAROYLGLYCEROLA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.72
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.72
TGLTRISTEAROYLGLYCEROLA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.72
TGLTRISTEAROYLGLYCEROLA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.72
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.72