Ligand name: 4-[(2-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine
PDB ligand accession: 370
DrugBank: n/a
PubChem: 71573457
ChEMBL: CHEMBL3237436
InChI Key: BSFSQCSQIOYTCL-UHFFFAOYSA-N
SMILES: Cc1c(c(n[nH]1)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzothiophenes
      • Subclass: 1-benzothiophenes

List of PDB structures and/or AlphaFold models with target protein A5K1A2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CAF	Download	Experimental	e4cafA1 e4cafA2 e4cafB1 e4cafB2 e4cafC1 e4cafC2	Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy	LigPlot