Ligand name: [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
PDB ligand accession: CK7
DrugBank: DB02833
PubChem: 447961
ChEMBL: CHEMBL298445
InChI Key: DYTKVFHLKPDNRW-UHFFFAOYSA-N
SMILES: Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q96PY6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4B9D	Download	Experimental	e4b9dA1 e4b9dB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot