Ligand name: Lenacapavir
PDB ligand accession: QNG
DrugBank: DB15673
PubChem: 133082658
ChEMBL: CHEMBL4594438
InChI Key: BRYXUCLEHAUSDY-WEWMWRJBSA-N
SMILES: CC(C)(C#Cc1ccc(c(n1)C(Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)C5CC5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenethylamines

List of PDB structures and/or AlphaFold models with target protein B6DRA0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6V2F	Download	Experimental	e6v2fA1 e6v2fB2 e6v2fC1 e6v2fD1 e6v2fE1 e6v2fE1 e6v2fE2 e6v2fF1	Retrovirus capsid protein Retrovirus capsid protein Retrovirus capsid protein Retrovirus capsid protein Retrovirus capsid protein Retrovirus capsid protein Retrovirus capsid protein Retrovirus capsid protein	LigPlot
7RJ4	Download	Experimental	e7rj4A2 e7rj4B2 e7rj4C1	Retrovirus capsid protein Retrovirus capsid protein Retrovirus capsid protein	LigPlot
6VKV	Download	Experimental	e6vkvA2 e6vkvB1 e6vkvC1	Retrovirus capsid protein Retrovirus capsid protein Retrovirus capsid protein	LigPlot
7RJ2	Download	Experimental	e7rj2C2	Retrovirus capsid protein	LigPlot