Ligand name: 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile
PDB ligand accession: C1V
DrugBank: n/a
PubChem: 11360391;54708532;
ChEMBL: CHEMBL512504
InChI Key: CTESJDQKVOEUOY-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)c2ccc(cc2)c3csc4c3C(=C(C(=O)N4)C#N)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Biphenyls and derivatives

List of PDB structures and/or AlphaFold models with target protein P54646

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CFF	Download	Experimental	e4cffA3 e4cffB3 e4cffD1 e4cffC3	Protein kinase/SAICAR synthase/ATP-grasp Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4ZHX	Download	Experimental	e4zhxA2 e4zhxB1 e4zhxD2 e4zhxC1	Protein kinase/SAICAR synthase/ATP-grasp Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5EZV	Download	Experimental	e5ezvB2 e5ezvA1 e5ezvD1 e5ezvC2	Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp	LigPlot