Ligand name: (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
PDB ligand accession: U57
DrugBank: n/a
PubChem: 122585078
ChEMBL: CHEMBL4594258
InChI Key: HTCJUBZBSJQWBW-CQSZACIVSA-N
SMILES: CCCCC(C)(CO)Nc1c2c(cc(cn2)F)nc(n1)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridopyrimidines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q9NR97

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6WML	Download	Experimental	e6wmlA1 e6wmlB1 e6wmlA2 e6wmlB2 e6wmlC1 e6wmlD2 e6wmlC2 e6wmlD1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot