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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02385986

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.71
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.72
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.72
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.72
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.72
NONMETHYL NONANOATE (ESTER)A1QQS0.73
NONMETHYL NONANOATE (ESTER)H1CLZ0.73
NONMETHYL NONANOATE (ESTER)H1CLY0.73
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.76
6ULTETRACOSYL PALMITATEA,B2H260.8
DGADIACYL GLYCEROLA,C2NLJ0.71
DGADIACYL GLYCEROLA,C1ZWI0.71
DGADIACYL GLYCEROLB,C1R3J0.71
DGADIACYL GLYCEROLC1K4D0.71
DGADIACYL GLYCEROLA,C1K4C0.71
DGADIACYL GLYCEROLC1R3K0.71
DGADIACYL GLYCEROLB,C1S5H0.71
DGADIACYL GLYCEROLC,H1R3I0.71
DGADIACYL GLYCEROLB,C1R3L0.71
T80METHYLPENTA(OXYETHYL) HEPTADECANOATEA,B1LBT0.76
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVD0.85
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVE0.85
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.77
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.71
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.7
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.7
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.7
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
A2F9A0.73
CNSHEXADECYL OCTANOATEA,B1U9O0.81
CNSHEXADECYL OCTANOATEA1U9N0.81
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.75
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.75
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.72
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.72
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.73
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.73
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.73
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.73
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.73
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.72
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.72
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.72
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