Ligand name: 2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile
PDB ligand accession: 77C
DrugBank: n/a
PubChem: 86763204
ChEMBL: CHEMBL3928407
InChI Key: XDSXYMOZKDUASY-INIZCTEOSA-N
SMILES: c1cc(cnc1)N2C(=O)c3c(ccc(c3N=C2C(C4CC4)Nc5c(c(nc(n5)N)N)C#N)F)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein O35904

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5T8I	Download	Experimental	e5t8iA4	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot