Ligand name: 2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
PDB ligand accession: 76C
DrugBank: n/a
PubChem: 86762886
ChEMBL: CHEMBL3909674
InChI Key: UISOZEPWNXYPCK-JTQLQIEISA-N
SMILES: Cc1c(cncc1F)N2C(=O)c3c(cccc3Cl)N=C2C(C)Nc4c(c(nc(n4)N)N)C#N
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
5T7F	Download	Experimental	e5t7fA2 e5t7fB2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot