Ligand name: 2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
PDB ligand accession: H0Q
DrugBank: n/a
PubChem: 137333980
ChEMBL: CHEMBL4543704
InChI Key: XBJCGFCUIMJMDK-UHFFFAOYSA-N
SMILES: Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4cccc(c4)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: Isoquinolones and derivatives

List of PDB structures and/or AlphaFold models with target protein Q16658

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6I13	Download	Experimental	e6i13A3 e6i13A4	beta-Trefoil beta-Trefoil	LigPlot