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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00355859

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PBS(2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-
D-GALACTOPYRANOSYL)OXY]-2-AMINO-
OCTADECANE-3,4-DIOL
A,C1Z5L0.71
LTA4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTERE,I1APT0.71
LP4(R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL)-
5-((R)-3-HYDROXYTETRADECANAMIDO)-
3-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-
4-YL) 3-HYDROXYTETRADECANOATE
A2E590.71
OCBOCTANOYLCARNITINEA,B1XL80.76
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE
C1CWK0.72
GM2N-[(1S,2S)-2-HYDROXY-1-({[(2R,3R,4S,5S,6R)-
3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-
2H-PYRAN-2-YL]OXY}METHYL)OCTADECYL]OCTADECANAMIDE
A1GZP0.72
PCJ(2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-
1,2-DIYL DIHEXADECANOATE
A,N2Z810.74
PCJ(2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-
1,2-DIYL DIHEXADECANOATE
A,B,C2Z7X0.74
GM3N-{1-[(HEXOPYRANOSYLOXY)METHYL]-
2-HYDROXYNONADECYL}TETRACOSANAMIDE
A2BV70.72
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE
A1ZT40.71
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE
A,C,E2PO60.71
HC5(R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-
TRIMETHYLPROPAN-1-AMINIUM
A,B2H3W0.7