Ligand name: N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE
PDB ligand accession: 5CB
DrugBank: DB07165
PubChem: 46937056
ChEMBL: n/a
InChI Key: SOBGXPPOYFFGTK-UGKGYDQZSA-N
SMILES: c1ccnc(c1)CCNC2=NCC(N(C2O)CC(=O)NCc3csc4c3cc(cc4)Cl)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P00734

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2BVX	Download	Experimental	e2bvx.1	cradle loop barrel	LigPlot