Ligand name: N-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide
PDB ligand accession: 68K
DrugBank: n/a
PubChem: 118797905
ChEMBL: CHEMBL3809870
InChI Key: RTOUKFMBOVMEOT-UHFFFAOYSA-N
SMILES: CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3CCc4ccc(cn4)NC(=O)c5ccc(cc5)F
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 P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5I3Y	Download	Experimental	e5i3yA1 e5i3yA2	cradle loop barrel cradle loop barrel	LigPlot