Ligand name: 1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-8-FLUORO-3-PHENYL-3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-2-YL}ETHANONE
PDB ligand accession: MKR
DrugBank: n/a
PubChem: 11662966
ChEMBL: CHEMBL250125
InChI Key: BWKAHABETZLDBG-AHKZPQOWSA-N
SMILES: CC(=O)C1=NN2c3cc(ccc3OCC2C1(CCCN4CCN(CC4)C(=O)C)c5ccccc5)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylbutylamines

List of PDB structures and/or AlphaFold models with target protein P52732

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2Q2Y	Download	Experimental	e2q2yA1 e2q2yB1	P-loop domains-like P-loop domains-like	LigPlot