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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02445050

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NONMETHYL NONANOATE (ESTER)A1QQS0.74
NONMETHYL NONANOATE (ESTER)H1CLZ0.74
NONMETHYL NONANOATE (ESTER)H1CLY0.74
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.75
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5N0.71
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,C,D,E1P840.71
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1SIW0.71
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Q160.71
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5L0.71
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5I0.71
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.75
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.75
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.75
LPP2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATEA,B,C,D,E,F,
G,H
2BOY0.71
LPP2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATEA,B,C,D,E,F1HG40.71
OHA10-oxohexadecanoic acidA,B,C,D2OD60.72
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.83
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.83
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
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W
3CX50.72
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W
3CXH0.72
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.73
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.73
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.73
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.73
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W
3CXH0.72
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W
3CX50.72
6ULTETRACOSYL PALMITATEA,B2H260.78
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.75
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.75
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.75
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.75
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.75
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.75
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.75
2SP(1S)-2-(PHOSPHONOOXY)-1-[(STEAROYLOXY)METHYL]ETHYL STEARATEA1PUB0.71
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.75
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.73
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.73
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.73
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.73
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.73
LIM3-OXO-PENTADECANOIC ACIDA2FCP0.73
LIM3-OXO-PENTADECANOIC ACIDA1UJW0.73
LIM3-OXO-PENTADECANOIC ACIDA1FCP0.73
MYY(2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATEA,B1UN80.71
PD7(2R)-3-(phosphonooxy)propane-1,2-
diyl diheptanoate
A2ZE90.71
4OX4-OXODECANEDIOIC ACIDA,B1L6Y0.74
4OX4-OXODECANEDIOIC ACIDA1GJP0.74
T80METHYLPENTA(OXYETHYL) HEPTADECANOATEA,B1LBT0.78
DGADIACYL GLYCEROLA,C2NLJ0.72
DGADIACYL GLYCEROLA,C1ZWI0.72
DGADIACYL GLYCEROLB,C1R3J0.72
DGADIACYL GLYCEROLC1K4D0.72
DGADIACYL GLYCEROLA,C1K4C0.72
DGADIACYL GLYCEROLC1R3K0.72
DGADIACYL GLYCEROLB,C1S5H0.72
DGADIACYL GLYCEROLC,H1R3I0.72
DGADIACYL GLYCEROLB,C1R3L0.72
DSB4,7-DIOXOSEBACIC ACIDA,B1I8J0.72
DSB4,7-DIOXOSEBACIC ACIDA1EB30.72
DSB4,7-DIOXOSEBACIC ACIDA,B1L6S0.72
DSB4,7-DIOXOSEBACIC ACIDA,B2C1H0.72
OOA3-OXOOCTANOIC ACIDA,B,C,D1H0M0.71
CNSHEXADECYL OCTANOATEA,B1U9O0.79
CNSHEXADECYL OCTANOATEA1U9N0.79