Ligand name: N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide
PDB ligand accession: 34I
DrugBank: n/a
PubChem: 46869880
ChEMBL: CHEMBL1682015
InChI Key: WNRCGOJLZOLSJN-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)CCC(=O)N2CC(=O)Nc3c(c(cs3)C#N)c4[nH]ncn4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Quinolones and derivatives

List of PDB structures and/or AlphaFold models with target protein P53779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3RTP	Download	Experimental	e3rtpA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot