Ligand name: 2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole
PDB ligand accession: YNE
DrugBank: n/a
PubChem: 72183475
ChEMBL: CHEMBL3237438
InChI Key: XZORQADPEUSNQJ-UHFFFAOYSA-N
SMILES: Cc1c(c(n(n1)C)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
2YNE	Download	Experimental	e2yneA2 e2yneA3 e2yneB2 e2yneB3 e2yneC2 e2yneC3	Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy	LigPlot