Ligand name: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
PDB ligand accession: 6VL
DrugBank: n/a
PubChem: 117883712;136980453;
ChEMBL: CHEMBL4438334
InChI Key: NCKLQXXBRWCYMA-FQEVSTJZSA-N
SMILES: CCC1(c2c[nH]nc2NC3=C1C(=O)CC(C3)(C)C)c4ccccc4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Phenylquinolines

List of PDB structures and/or AlphaFold models with target protein P49841

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5T31	Download	Experimental	e5t31A1 e5t31B1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5KPL	Download	Experimental	e5kplA1 e5kplB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7SXJ	Download	Experimental	e7sxjA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot