Ligand name: 5-(4-cyano-2-methyl-1H-benzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide
PDB ligand accession: JBW
DrugBank: n/a
PubChem: 53494972
ChEMBL: CHEMBL2012958
InChI Key: XRXYHTFKWSMTFI-UHFFFAOYSA-N
SMILES: Cc1nc2c(cccc2n1c3ccc(s3)C(=O)NC4CC4)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzimidazoles
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q54A96

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CQ8	Download	Experimental	e4cq8A1 e4cq8B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot