Ligand name: methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H-benzimidazol-2-yl)carbamate
PDB ligand accession: 63B
DrugBank: n/a
PubChem: 91262312
ChEMBL: CHEMBL4453878
InChI Key: GXKYDDNYCCSFKJ-UHFFFAOYSA-N
SMILES: COC(=O)Nc1[nH]c2cc(ccc2n1)Sc3nnc4n3nc(cc4)c5ccc(cc5)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzimidazoles
      • Subclass: 2-benzimidazolylcarbamic acid esters

List of PDB structures and/or AlphaFold models with target protein P08581

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HNI	Download	Experimental	e5hniX1 e5hniY1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot