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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02385020

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DCRicosanoic acidA,B,C,D3EUT0.72
F23TRICOSANOIC ACIDA,B1LLF0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A2C9E0.71
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)M,N,O1PPR0.71
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.71
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C2BHW0.71
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
G,H,I,J		1RWT0.71
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.71
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,F,H,
K,L,T,V,Z		3A0H0.71
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.71
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.71
CNSHEXADECYL OCTANOATEA,B1U9O0.74
CNSHEXADECYL OCTANOATEA1U9N0.74
PIOL-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4,5-
BISPHOSPHATE, D(+)SN1,2DI-O-OCTANOYLGLYCERYL		A1HFA0.72
PIOL-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4,5-
BISPHOSPHATE, D(+)SN1,2DI-O-OCTANOYLGLYCERYL		A2H3V0.72
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CXH0.71
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CX50.71
CN5(5S,11R)-5,8,11-trihydroxy-5,11-
dioxido-17-oxo-4,6,10,12,16-pentaoxa-
5,11-diphosphaoctadec-1-yl pentadecanoate		A,C,D,E,L,N,
O,P,W		3CX50.7
OHA10-oxohexadecanoic acidA,B,C,D2OD60.7
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
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2FAF0.72
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B,C,D2FAH0.72
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2QZY0.72
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
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,B2FCT0.72
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,B2FCV0.72
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,B2FCU0.72
PGT(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE		H,L,M2HHK0.71
T80METHYLPENTA(OXYETHYL) HEPTADECANOATEA,B1LBT0.73
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.73
PII2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-
PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-
1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE		A1GZQ0.73
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
STESTEARIC ACIDA,B1XXS0.72
STESTEARIC ACIDA,B3CJD0.72
STESTEARIC ACIDA,B1UVC0.72
STESTEARIC ACIDA1K4W0.72
STESTEARIC ACIDA1E7I0.72
STESTEARIC ACIDA1FK40.72
STESTEARIC ACIDA1HMT0.72
STESTEARIC ACIDA1LIF0.72
STESTEARIC ACIDA2FVA0.72
STESTEARIC ACIDA,B3FLV0.72
STESTEARIC ACIDA3EML0.72
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
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
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,F,I,J,
K,L,M,X		1JB00.73
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.73
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,L,R1Q900.73
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.73
6ULTETRACOSYL PALMITATEA,B2H260.72
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.72
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.87
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.73
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.73
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.73
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.73
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.73
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.79
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.79
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.79
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CX50.71
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CXH0.71
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
OSUN-OCTANOYLSUCROSEA1PYY0.72
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,F,H,
K,L,T,V,Z		3A0H0.73
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.73
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.73
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.77
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.77
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.77
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.77
TGLTRISTEAROYLGLYCEROLA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.77
TGLTRISTEAROYLGLYCEROLA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.77
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.77
TGLTRISTEAROYLGLYCEROLA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.77
TGLTRISTEAROYLGLYCEROLA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.77
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.77
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.84
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.84
PLMPALMITIC ACIDA2UUI0.72
PLMPALMITIC ACIDA,B,C,D,E,F2UWH0.72
PLMPALMITIC ACIDA,B3EPY0.72
PLMPALMITIC ACIDA,B2W3Y0.72
PLMPALMITIC ACIDA1JTB0.72
PLMPALMITIC ACIDA1M670.72
PLMPALMITIC ACIDA2Z6V0.72
PLMPALMITIC ACIDA,B1E120.72
PLMPALMITIC ACIDA,B2GO30.72
PLMPALMITIC ACIDA,B,C2NWL0.72
PLMPALMITIC ACIDA1MDC0.72
PLMPALMITIC ACIDA,B3BDQ0.72
PLMPALMITIC ACIDA3BFH0.72
PLMPALMITIC ACIDA2DT80.72
PLMPALMITIC ACIDA,B2IES0.72
PLMPALMITIC ACID1,41EV10.72
PLMPALMITIC ACIDA3BKR0.72
PLMPALMITIC ACIDA,B1VPV0.72
PLMPALMITIC ACIDA,B,C3EGL0.72
PLMPALMITIC ACIDA2E9M0.72
PLMPALMITIC ACIDA2VN00.72
PLMPALMITIC ACIDA,B2HPY0.72
PLMPALMITIC ACIDA1N1G0.72
PLMPALMITIC ACIDA,B,C2NWX0.72
PLMPALMITIC ACIDA1B0O0.72
PLMPALMITIC ACIDA2ZIY0.72
PLMPALMITIC ACIDA1ACA0.72
PLMPALMITIC ACIDA2ZWS0.72
PLMPALMITIC ACIDA3FYS0.72
PLMPALMITIC ACIDA,B1L9H0.72
PLMPALMITIC ACIDA1SZ70.72
PLMPALMITIC ACIDA,C,E1O6U0.72
PLMPALMITIC ACIDA,B2NNH0.72
PLMPALMITIC ACIDA,B2DEB0.72
PLMPALMITIC ACIDA,B,C2DQZ0.72
PLMPALMITIC ACIDA2FIK0.72
PLMPALMITIC ACIDA1M660.72
PLMPALMITIC ACID1,41HXS0.72
PLMPALMITIC ACIDA,B2Z730.72
PLMPALMITIC ACIDA2PFC0.72
PLMPALMITIC ACIDA2IFB0.72
PLMPALMITIC ACIDA2HMB0.72
PLMPALMITIC ACIDA1EH50.72
PLMPALMITIC ACIDA,B3CAP0.72
PLMPALMITIC ACIDA,B1U190.72
PLMPALMITIC ACIDA,B,C2DQY0.72
PLMPALMITIC ACIDA,C2Q7Y0.72
PLMPALMITIC ACIDA1BE20.72
PLMPALMITIC ACIDA,B1PQ20.72
PLMPALMITIC ACIDA,B1HZX0.72
PLMPALMITIC ACIDA1NVL0.72
PLMPALMITIC ACIDA,B2PED0.72
PLMPALMITIC ACIDA1O8V0.72
PLMPALMITIC ACIDA,B1GZM0.72
PLMPALMITIC ACIDA2JAF0.72
PLMPALMITIC ACIDA2NNI0.72
PLMPALMITIC ACIDA2E9L0.72
PLMPALMITIC ACIDA1LIE0.72
PLMPALMITIC ACIDA3BKS0.72
PLMPALMITIC ACIDE,K,Q,W3CUE0.72
PLMPALMITIC ACIDA3DQB0.72
PLMPALMITIC ACIDA2HNX0.72
PLMPALMITIC ACIDA1PZ40.72
PLMPALMITIC ACIDA1MGP0.72
PLMPALMITIC ACIDA1MZM0.72
PLMPALMITIC ACIDA2NNJ0.72
PLMPALMITIC ACIDA1E7H0.72
PLMPALMITIC ACIDA,B1PZX0.72
PLMPALMITIC ACIDA1URE0.72
PLMPALMITIC ACIDA2RH10.72
PLMPALMITIC ACIDA2UUH0.72
PLMPALMITIC ACIDA3C9L0.72
PLMPALMITIC ACIDA,B2QZT0.72
PLMPALMITIC ACID1,41COV0.72
PLMPALMITIC ACIDA,B2IER0.72
PLMPALMITIC ACIDA,B,C2IU80.72
PLMPALMITIC ACIDA,B,C2IUA0.72
PLMPALMITIC ACIDA1LV20.72
PLMPALMITIC ACIDA3DBX0.72
PLMPALMITIC ACIDA1B560.72
PLMPALMITIC ACIDA2JAG0.72
PLMPALMITIC ACIDA,B,C2I360.72
PLMPALMITIC ACIDA,B,C2IU90.72
PLMPALMITIC ACIDA,B2G870.72
PLMPALMITIC ACIDA1GXA0.72
PLMPALMITIC ACIDA2ZOX0.72
PLMPALMITIC ACIDA2I350.72