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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02252725

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,D2HFE0.72
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.72
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.72
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.76
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
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPE,I6TMN0.71
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPI1DS20.71
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.7
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.7
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.73
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.73
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.72
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.72
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.72
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.72
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.72
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
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE
A2D810.72
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.7
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.78
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
A2F9A0.72