Ligand name: propyl (2~{R})-4-[4-chloranyl-2-[4-(2-oxidanylpropan-2-yl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate
PDB ligand accession: 8HF
DrugBank: n/a
PubChem: 129029321
ChEMBL: n/a
InChI Key: BURBRCSDCXUEJO-GOSISDBHSA-N
SMILES: CCCOC(=O)N1CCN(CC1C)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccc(cc4)C(C)(C)O
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 Q9H7B4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5XXJ	Download	Experimental	e5xxjA1 e5xxjA2	beta-clip Repetitive alpha hairpins	LigPlot