Ligand name: 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
PDB ligand accession: BKV
DrugBank: n/a
PubChem: 2049550;135493519;
ChEMBL: CHEMBL1423878
InChI Key: PNDQJUVRRFIFTM-UHFFFAOYSA-N
SMILES: c1ccc(cc1)c2cn(c3c2C(=O)NC=N3)c4ccc(cc4)Br
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrroles
      • Subclass: Substituted pyrroles

List of PDB structures and/or AlphaFold models with target protein Q16875

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4D4M	Download	Experimental	e4d4mA1 e4d4mA2	P-loop domains-like Phosphoglycerate mutase-like	LigPlot