Ligand name: N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide
PDB ligand accession: 842
DrugBank: n/a
PubChem: 45486979
ChEMBL: CHEMBL572081
InChI Key: QXNFPOMRKODYSK-IZZNHLLZSA-N
SMILES: CC(=O)NC(Cc1cc(cc(c1)F)F)C(CNC2(CCCCC2)c3cccc(c3)n4cccn4)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

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
3N4L	Download	Experimental	e3n4lA2 e3n4lA3 e3n4lB2 e3n4lB3 e3n4lC2 e3n4lC3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
4I0J	Download	Experimental	e4i0jA2 e4i0jA3	cradle loop barrel cradle loop barrel	LigPlot