Ligand name: S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate
PDB ligand accession: 8Q1
DrugBank: n/a
PubChem: 119058169
ChEMBL: n/a
InChI Key: MVHUOSAYFQKAMT-NRFANRHFSA-N
SMILES: CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Organic phosphoric acids and derivatives
      • Subclass: Phosphate esters

List of PDB structures and/or AlphaFold models with target protein Q9Y697

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6W1D	Download	Experimental	e6w1dA1 e6w1dB1 e6w1dC1	PLP-dependent transferases LYR protein ACP-like	LigPlot
6NZU	Download	Experimental	e6nzuA2 e6nzuB1 e6nzuC1 e6nzuE2 e6nzuF1 e6nzuG1	PLP-dependent transferases LYR protein ACP-like PLP-dependent transferases LYR protein ACP-like	LigPlot
5USR	Download	Experimental	e5usrI1 e5usrF1 e5usrE3 e5usrG1 e5usrJ1 e5usrH1 e5usrA2 e5usrK1 e5usrB1 e5usrC1 e5usrD1 e5usrL1	ACP-like LYR protein PLP-dependent transferases PLP-dependent transferases ACP-like LYR protein PLP-dependent transferases ACP-like LYR protein PLP-dependent transferases LYR protein ACP-like	LigPlot
6WIH	Download	Experimental	e6wihA2 e6wihB1 e6wihC1	PLP-dependent transferases LYR protein ACP-like	LigPlot
6UXE	Download	Experimental	e6uxeA2 e6uxeB1 e6uxeC1	PLP-dependent transferases LYR protein ACP-like	LigPlot
5WKP	Download	Experimental	e5wkpC1 e5wkpA2 e5wkpB1 e5wkpE2 e5wkpF1 e5wkpG1	ACP-like PLP-dependent transferases LYR protein PLP-dependent transferases LYR protein ACP-like	LigPlot
5WGB	Download	Experimental	e5wgbA1 e5wgbA2 e5wgbB1 e5wgbC1	C-terminal domain in some PLP-dependent transferases PLP-dependent transferases LYR protein ACP-like	LigPlot
5WLW	Download	Experimental	e5wlwA2 e5wlwB1 e5wlwC1 e5wlwF1 e5wlwE1 e5wlwG1	PLP-dependent transferases LYR protein ACP-like LYR protein PLP-dependent transferases ACP-like	LigPlot
6WI2	Download	Experimental	e6wi2A1 e6wi2B1 e6wi2C1	PLP-dependent transferases LYR protein ACP-like	LigPlot
7RTK	Download	Experimental	e7rtkA1 e7rtkB1 e7rtkC1	PLP-dependent transferases LYR protein ACP-like	LigPlot