Ligand name: [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
PDB ligand accession: NUY
DrugBank: n/a
PubChem: 764856
ChEMBL: n/a
InChI Key: ZEVVAPJSMUTCRY-UHFFFAOYSA-N
SMILES: CC(C)N1CCN(CC1)C(=O)c2cccs2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Thiophenes
      • Subclass: Thiophene carboxylic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein A0A3L6KZJ1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5S9V	Download	Experimental	e5s9vA3 e5s9vB1	FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot