Ligand name: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone
PDB ligand accession: CQY
DrugBank: n/a
PubChem: 131955136
ChEMBL: n/a
InChI Key: LAYJOGOQGVGOCO-UHFFFAOYSA-N
SMILES: CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC4)[N+](=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein O94788

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6B5G	Download	Experimental	e6b5gA1 e6b5gA2 e6b5gC1 e6b5gB1 e6b5gB2 e6b5gD1 e6b5gA1 e6b5gA2 e6b5gC1 e6b5gC2 e6b5gB1 e6b5gD1 e6b5gD2	ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot