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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02900405

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.9
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.9
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.9
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.88
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.88
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.88
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.88
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.88
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.88
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.88
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.88
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.88
DGADIACYL GLYCEROLA,C2NLJ0.86
DGADIACYL GLYCEROLA,C1ZWI0.86
DGADIACYL GLYCEROLB,C1R3J0.86
DGADIACYL GLYCEROLC1K4D0.86
DGADIACYL GLYCEROLA,C1K4C0.86
DGADIACYL GLYCEROLC1R3K0.86
DGADIACYL GLYCEROLB,C1S5H0.86
DGADIACYL GLYCEROLC,H1R3I0.86
DGADIACYL GLYCEROLB,C1R3L0.86
HHG(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATEA1Y9T0.86
HHG(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATEA,B3E3C0.86
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.78
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
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
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.77
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.77
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.76
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.76
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.76
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.76
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.76
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.76
TGLTRISTEAROYLGLYCEROLA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.76
TGLTRISTEAROYLGLYCEROLA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.76
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.76
TGLTRISTEAROYLGLYCEROLA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.76
TGLTRISTEAROYLGLYCEROLA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.76
TGLTRISTEAROYLGLYCEROLA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.76
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE		A2D810.76
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.76
PGT(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE		H,L,M2HHK0.76
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2CYD0.76
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2DB40.76
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.76
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C2BHW0.76
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		2BL20.76
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,F,I,J,
K,L,M,X		1JB00.76
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,F,H,
K,L,T,V,Z		3A0H0.76
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.76
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.76
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J		1RWT0.76
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.76
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.75
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.75
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWG0.75
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWF0.75
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWH0.75
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE		A,B1EKH0.74
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE		A,B1EKI0.74
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.73
IN1PROPIONIC ACID 2,2-DIHYDROXY-3-
(1-GLUCOPYRANOSYLOXY)-METHYLPROPYL ESTER		A,B4OVW0.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		M1E6X0.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B2E400.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A2VWG0.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B3EQO0.73
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.73
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.73
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.73
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.73
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.73
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
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.72
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.72
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
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.72
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
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
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.72
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.72
T80METHYLPENTA(OXYETHYL) HEPTADECANOATEA,B1LBT0.72
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.71
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate		A3D4S0.71
PD7(2R)-3-(phosphonooxy)propane-1,2-
diyl diheptanoate		A2ZE90.71
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA2OBD0.7
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA,D2IWG0.7
GCOGLUCONIC ACIDB,C,D1BGG0.7
GCOGLUCONIC ACIDA,B1XLF0.7
CS2D-MANNONIC ACIDA,B,C,D2QJM0.7
CS2D-MANNONIC ACIDA,B3DBN0.7
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CX50.7
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CXH0.7
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CXH0.7
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CX50.7
PBU(2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-
2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-
1,2-DIYL DIBUTANOATE		A2K4I0.7
PBU(2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-
2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-
1,2-DIYL DIBUTANOATE		A2H3Q0.7
PBU(2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-
2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-
1,2-DIYL DIBUTANOATE		A2H3Z0.7
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.7
PIB2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-
TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE		A1ZSQ0.7
PIB2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-
TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE		A1H6H0.7
PIB2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-
TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE		A2RAK0.7
PIB2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-
TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE		A,B1OCU0.7