Ligand name: (4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile
PDB ligand accession: BG0
DrugBank: DB12925
PubChem: 23649181
ChEMBL: CHEMBL2103852
InChI Key: JXONINOYTKKXQQ-CQSZACIVSA-N
SMILES: COc1cc(cc(c1OC)Br)C2c3ccc(c(c3OC(=C2C#N)N)N)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Neoflavonoids
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q2XVP4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6JCJ	Download	Experimental	e6jcjA1 e6jcjA2 e6jcjB1 e6jcjB2 e6jcjD1 e6jcjD2 e6jcjC1	Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like	LigPlot