Ligand name: ~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide
PDB ligand accession: H0H
DrugBank: n/a
PubChem: 56761670
ChEMBL: CHEMBL4469510
InChI Key: VTTHLQZKGGQAGE-UHFFFAOYSA-N
SMILES: Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccccc4
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
6I11	Download	Experimental	e6i11A1 e6i11A4	beta-Trefoil beta-Trefoil	LigPlot