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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02469815

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CX50.73
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CXH0.73
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.84
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.84
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.84
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.77
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.77
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.86
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.86
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.86
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.86
OSUN-OCTANOYLSUCROSEA1PYY0.82
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2CYD0.75
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2DB40.75
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.75
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C2BHW0.75
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2BL20.75
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,F,I,J,
K,L,M,X		1JB00.75
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,F,H,
K,L,T,V,Z		3A0H0.75
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.75
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.75
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		1RWT0.75
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.75
2SP(1S)-2-(PHOSPHONOOXY)-1-[(STEAROYLOXY)METHYL]ETHYL STEARATEA1PUB0.72
CN3(2R,5S,11R,14R)-5,8,11-trihydroxy-
2-(nonanoyloxy)-5,11-dioxido-16-
oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-
pentaoxa-5,11-diphosphanonadec-
1-yl undecanoate		A,C,D,E,L,N,
O,P,W		3CX50.72
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.71
CDLCARDIOLIPINH,L,M3DTA0.72
CDLCARDIOLIPINC1E140.72
CDLCARDIOLIPINA,C,D,E,G,N,
P,Q,R,S		3H1J0.72
CDLCARDIOLIPINH,L,M2UX50.72
CDLCARDIOLIPINH,L,M3DTS0.72
CDLCARDIOLIPINH,L,M1K6N0.72
CDLCARDIOLIPINL,M1YF60.72
CDLCARDIOLIPINH,L,M2UXJ0.72
CDLCARDIOLIPINA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.72
CDLCARDIOLIPINL,M1M3X0.72
CDLCARDIOLIPINH,L,M2HJ60.72
CDLCARDIOLIPINL,M1KBY0.72
CDLCARDIOLIPINH,L,M1RG50.72
CDLCARDIOLIPINA,C,D,E,G,P,
Q,R,W		3CWB0.72
CDLCARDIOLIPINA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.72
CDLCARDIOLIPINL,M1JGY0.72
CDLCARDIOLIPINH,L,M3DTR0.72
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.72
CDLCARDIOLIPINH,L,M2J8D0.72
CDLCARDIOLIPINH,L,M1RY50.72
CDLCARDIOLIPINH,L,M1RZH0.72
CDLCARDIOLIPINH,L,M2UXK0.72
CDLCARDIOLIPINH,L,M2HH10.72
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R		3H1H0.72
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R		3H1K0.72
CDLCARDIOLIPINH,L,M3DU20.72
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.72
CDLCARDIOLIPINL,M2JJ00.72
CDLCARDIOLIPINH,L,M1RVJ0.72
CDLCARDIOLIPINL,M1JGW0.72
CDLCARDIOLIPINH,L,M1K6L0.72
CDLCARDIOLIPINH,L,M2HHK0.72
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.72
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.72
CDLCARDIOLIPINA2C3E0.72
CDLCARDIOLIPINH,L,M3DSY0.72
CDLCARDIOLIPINL,M1JGZ0.72
CDLCARDIOLIPINH,L,M2J8C0.72
CDLCARDIOLIPINH,L,M2UWU0.72
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.72
CDLCARDIOLIPINH,L,M2HG90.72
CDLCARDIOLIPINH,L,M2HIT0.72
CDLCARDIOLIPINH,L,M2JIY0.72
CDLCARDIOLIPINH,L,M1RQK0.72
CDLCARDIOLIPINA,B,C1KQG0.72
CDLCARDIOLIPINA,C,D,E1KB90.72
CDLCARDIOLIPINA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.72
CDLCARDIOLIPINH,L,M2UX40.72
CDLCARDIOLIPINL,M1QOV0.72
CDLCARDIOLIPINH,L,M3DU30.72
CDLCARDIOLIPINA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.72
CDLCARDIOLIPINH,L,M2GNU0.72
CDLCARDIOLIPINL,M1OGV0.72
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R		3H1I0.72
CDLCARDIOLIPINH,L,M3DUQ0.72
CDLCARDIOLIPINA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.72
CDLCARDIOLIPINH,L,M2HG30.72
CDLCARDIOLIPINH,L,M2UX30.72
CDLCARDIOLIPINA,B,C1KQF0.72
CDLCARDIOLIPINA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.72
CDLCARDIOLIPINH,L,M2UWW0.72
CDLCARDIOLIPINA1OKC0.72
CDLCARDIOLIPINA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.72
CDLCARDIOLIPINA,C,D,E,G,J1SQP0.72
CDLCARDIOLIPINA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.72
CDLCARDIOLIPINA,C,D,E1P840.72
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.79
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.79
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.79
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.79
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.79
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.79
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.79
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.79
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.79
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.79
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.79
TGLTRISTEAROYLGLYCEROLA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.79
TGLTRISTEAROYLGLYCEROLA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.79
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.79
TGLTRISTEAROYLGLYCEROLA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.79
TGLTRISTEAROYLGLYCEROLA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.79
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.79
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.79
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.82
MYY(2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATEA,B1UN80.72
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		3CX50.72
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.86
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.86
T80METHYLPENTA(OXYETHYL) HEPTADECANOATEA,B1LBT0.75
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,F,H,
K,L,T,V,Z		3A0H0.78
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.78
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.78
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.72
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.72
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.72
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.72
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.72
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5N0.72
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,C,D,E1P840.72
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1SIW0.72
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Q160.72
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5L0.72
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5I0.72
PGM1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-
3-[PHOSPHO-RAC-(1-GLYCEROL)]		A1N890.77
PGM1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-
3-[PHOSPHO-RAC-(1-GLYCEROL)]		A1TUK0.77
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2FAF0.82
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B,C,D2FAH0.82
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2QZY0.82
DGADIACYL GLYCEROLA,C2NLJ0.84
DGADIACYL GLYCEROLA,C1ZWI0.84
DGADIACYL GLYCEROLB,C1R3J0.84
DGADIACYL GLYCEROLC1K4D0.84
DGADIACYL GLYCEROLA,C1K4C0.84
DGADIACYL GLYCEROLC1R3K0.84
DGADIACYL GLYCEROLB,C1S5H0.84
DGADIACYL GLYCEROLC,H1R3I0.84
DGADIACYL GLYCEROLB,C1R3L0.84
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,B2FCT0.82
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,B2FCV0.82
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,B2FCU0.82
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C,E,F,G2ABM0.77
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5I0.77
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y4Z0.77
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5N0.77
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Q160.77
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate		A3D4S0.71
PGT(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE		H,L,M2HHK0.75
PII2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-
PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-
1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE		A1GZQ0.7
PD7(2R)-3-(phosphonooxy)propane-1,2-
diyl diheptanoate		A2ZE90.71
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A2C9E0.75
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)M,N,O1PPR0.75
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.75
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C2BHW0.75
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
G,H,I,J		1RWT0.75
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.75
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,F,H,
K,L,T,V,Z		3A0H0.75
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.75
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.75
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.76
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,F,I,J,
K,L,M,X		1JB00.78
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.78
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,L,R1Q900.78
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.78
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CXH0.73
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CX50.73
LPP2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATEA,B,C,D,E,F,
G,H		2BOY0.72
LPP2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATEA,B,C,D,E,F1HG40.72
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID		A2F9A0.72
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.86
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.86
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.86
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.86
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.86
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.71
CN6(2R,5R,11S,14R)-2-(butanoyloxy)-
5,8,11-trihydroxy-5,11-dioxido-
16-oxo-14-[(propanoyloxy)methyl]-
4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-
1-yl undecanoate		A,C,D,E,L,N,
O,P,W		3CXH0.73