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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03399253

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.71
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.71
2SP(1S)-2-(PHOSPHONOOXY)-1-[(STEAROYLOXY)METHYL]ETHYL STEARATEA1PUB0.78
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		3CXH0.79
PGT(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE		H,L,M2HHK0.82
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CXH0.79
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CX50.79
PGK(1R)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-
9,10-DIBROMOOCTADECANOATE		H,L,M2HHK0.73
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		3CX50.77
MYY(2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATEA,B1UN80.78
HHG(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATEA1Y9T0.79
HHG(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATEA,B3E3C0.79
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.72
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.72
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.72
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B2NXG0.71
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2NX30.71
CDLCARDIOLIPINH,L,M3DTA0.77
CDLCARDIOLIPINC1E140.77
CDLCARDIOLIPINA,C,D,E,G,N,
P,Q,R,S		3H1J0.77
CDLCARDIOLIPINH,L,M2UX50.77
CDLCARDIOLIPINH,L,M3DTS0.77
CDLCARDIOLIPINH,L,M1K6N0.77
CDLCARDIOLIPINL,M1YF60.77
CDLCARDIOLIPINH,L,M2UXJ0.77
CDLCARDIOLIPINA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.77
CDLCARDIOLIPINL,M1M3X0.77
CDLCARDIOLIPINH,L,M2HJ60.77
CDLCARDIOLIPINL,M1KBY0.77
CDLCARDIOLIPINH,L,M1RG50.77
CDLCARDIOLIPINA,C,D,E,G,P,
Q,R,W		3CWB0.77
CDLCARDIOLIPINA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.77
CDLCARDIOLIPINL,M1JGY0.77
CDLCARDIOLIPINH,L,M3DTR0.77
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.77
CDLCARDIOLIPINH,L,M2J8D0.77
CDLCARDIOLIPINH,L,M1RY50.77
CDLCARDIOLIPINH,L,M1RZH0.77
CDLCARDIOLIPINH,L,M2UXK0.77
CDLCARDIOLIPINH,L,M2HH10.77
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R		3H1H0.77
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R		3H1K0.77
CDLCARDIOLIPINH,L,M3DU20.77
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.77
CDLCARDIOLIPINL,M2JJ00.77
CDLCARDIOLIPINH,L,M1RVJ0.77
CDLCARDIOLIPINL,M1JGW0.77
CDLCARDIOLIPINH,L,M1K6L0.77
CDLCARDIOLIPINH,L,M2HHK0.77
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.77
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.77
CDLCARDIOLIPINA2C3E0.77
CDLCARDIOLIPINH,L,M3DSY0.77
CDLCARDIOLIPINL,M1JGZ0.77
CDLCARDIOLIPINH,L,M2J8C0.77
CDLCARDIOLIPINH,L,M2UWU0.77
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.77
CDLCARDIOLIPINH,L,M2HG90.77
CDLCARDIOLIPINH,L,M2HIT0.77
CDLCARDIOLIPINH,L,M2JIY0.77
CDLCARDIOLIPINH,L,M1RQK0.77
CDLCARDIOLIPINA,B,C1KQG0.77
CDLCARDIOLIPINA,C,D,E1KB90.77
CDLCARDIOLIPINA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.77
CDLCARDIOLIPINH,L,M2UX40.77
CDLCARDIOLIPINL,M1QOV0.77
CDLCARDIOLIPINH,L,M3DU30.77
CDLCARDIOLIPINA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.77
CDLCARDIOLIPINH,L,M2GNU0.77
CDLCARDIOLIPINL,M1OGV0.77
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R		3H1I0.77
CDLCARDIOLIPINH,L,M3DUQ0.77
CDLCARDIOLIPINA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.77
CDLCARDIOLIPINH,L,M2HG30.77
CDLCARDIOLIPINH,L,M2UX30.77
CDLCARDIOLIPINA,B,C1KQF0.77
CDLCARDIOLIPINA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.77
CDLCARDIOLIPINH,L,M2UWW0.77
CDLCARDIOLIPINA1OKC0.77
CDLCARDIOLIPINA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.77
CDLCARDIOLIPINA,C,D,E,G,J1SQP0.77
CDLCARDIOLIPINA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.77
CDLCARDIOLIPINA,C,D,E1P840.77
PIOL-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4,5-
BISPHOSPHATE, D(+)SN1,2DI-O-OCTANOYLGLYCERYL		A1HFA0.74
PIOL-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4,5-
BISPHOSPHATE, D(+)SN1,2DI-O-OCTANOYLGLYCERYL		A2H3V0.74
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C,E,F,G2ABM0.83
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5I0.83
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y4Z0.83
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5N0.83
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Q160.83
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.71
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.71
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.71
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.71
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.71
PGM1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-
3-[PHOSPHO-RAC-(1-GLYCEROL)]		A1N890.83
PGM1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-
3-[PHOSPHO-RAC-(1-GLYCEROL)]		A1TUK0.83
PII2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-
PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-
1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE		A1GZQ0.75
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5N0.78
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,C,D,E1P840.78
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1SIW0.78
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Q160.78
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5L0.78
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5I0.78
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2CYD0.82
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2DB40.82
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.82
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C2BHW0.82
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2BL20.82
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,F,I,J,
K,L,M,X		1JB00.82
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,F,H,
K,L,T,V,Z		3A0H0.82
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.82
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.82
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		1RWT0.82
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.82
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.71
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.71
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.71
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.71
PA6(R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATEA2NR90.7
DGG1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-
HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-
3-[HEXADECANAL-1-YL]-GLYCEROL		A,B1CQX0.75
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.71
LPP2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATEA,B,C,D,E,F,
G,H		2BOY0.78
LPP2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATEA,B,C,D,E,F1HG40.78
PD7(2R)-3-(phosphonooxy)propane-1,2-
diyl diheptanoate		A2ZE90.81
DGADIACYL GLYCEROLA,C2NLJ0.7
DGADIACYL GLYCEROLA,C1ZWI0.7
DGADIACYL GLYCEROLB,C1R3J0.7
DGADIACYL GLYCEROLC1K4D0.7
DGADIACYL GLYCEROLA,C1K4C0.7
DGADIACYL GLYCEROLC1R3K0.7
DGADIACYL GLYCEROLB,C1S5H0.7
DGADIACYL GLYCEROLC,H1R3I0.7
DGADIACYL GLYCEROLB,C1R3L0.7
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		3CX50.81
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CX50.79
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CXH0.79