Ligand name: 2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine-3-carboxamide
PDB ligand accession: 77D
DrugBank: n/a
PubChem: 56643086
ChEMBL: CHEMBL1933936
InChI Key: YSSBOOQPHTZACI-CYBMUJFWSA-N
SMILES: CC1(Cc2c(c(sc2C(=O)NC1)Nc3ccc(cc3F)I)C(=O)NC4CCCNC4)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Thiophenes
      • Subclass: Aminothiophenes

List of PDB structures and/or AlphaFold models with target protein Q02750

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3SLS	Download	Experimental	e3slsA1 e3slsB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot