Ligand name: 6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
PDB ligand accession: R7S
DrugBank: n/a
PubChem: 90155396
ChEMBL: CHEMBL4642013
InChI Key: SHENXRCDBJGWNU-GOSISDBHSA-N
SMILES: CC(C)(C(CNC(=O)c1cnc(cc1NC2CC2)Nc3ccc4c(c3)scn4)F)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9NWZ3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6VQL	Download	Experimental	e6vqlA1 e6vqlB1 e6vqlC1 e6vqlD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot