Ligand name: Deacetyltaxol
PDB ligand accession: BKR
DrugBank: n/a
PubChem: 155831
ChEMBL: CHEMBL302324
InChI Key: TYLVGQKNNUHXIP-MHHARFCSSA-N
SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Prenol lipids
      • Subclass: Diterpenoids

List of PDB structures and/or AlphaFold models with target protein G8GLP2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6KJ0	Download	Experimental	e6kj0A2 e6kj0A3 e6kj0B1 e6kj0B2	Flavodoxin-like TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like	LigPlot
7YO6	Download	Experimental	e7yo6A1 e7yo6A3 e7yo6B2 e7yo6B3	TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like	LigPlot
7YO7	Download	Experimental	e7yo7A1 e7yo7A2 e7yo7B1 e7yo7B3	Flavodoxin-like TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like	LigPlot
7EY1	Download	Experimental	e7ey1A2 e7ey1A3 e7ey1B2 e7ey1B3	Flavodoxin-like TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like	LigPlot
8GYY	Download	Experimental	e8gyyB1 e8gyyB3 e8gyyA1 e8gyyA3 e8gyyC1 e8gyyC2 e8gyyD1 e8gyyD2	TIM beta/alpha-barrel Flavodoxin-like Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like	LigPlot