Ligand name: N-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine
PDB ligand accession: H6J
DrugBank: n/a
PubChem: 137349487
ChEMBL: CHEMBL4294426
InChI Key: CPNWZGJHUIZVEZ-UHFFFAOYSA-N
SMILES: C=CS(=O)(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

List of PDB structures and/or AlphaFold models with target protein P29375

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6DQ6	Download	Experimental	e6dq6A1	jelly-roll	LigPlot