Ligand name: N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide
PDB ligand accession: 957
DrugBank: n/a
PubChem: 46891887
ChEMBL: CHEMBL1230648
InChI Key: YEGCCSKZPHGALE-LEWJYISDSA-N
SMILES: CC(=O)NC(Cc1cc(cc(c1)F)F)C(CNC2(CC2)c3cc(cs3)CC(C)(C)C)O
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 P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3NSH	Download	Experimental	e3nshA2 e3nshA3 e3nshB2 e3nshB3 e3nshC2 e3nshC3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
4I0I	Download	Experimental	e4i0iA2 e4i0iA3 e4i0iB2 e4i0iB3 e4i0iC2 e4i0iC3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot