Ligand name: 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one
PDB ligand accession: 92W
DrugBank: n/a
PubChem: 11976582
ChEMBL: CHEMBL3348907
InChI Key: CMKMGFAUKPAOMG-AWEZNQCLSA-N
SMILES: Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCN(CC3C)C(=O)CN
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 PDB structures and/or AlphaFold models with target protein A0A045KE74

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7SEY	Download	Experimental	e7seyA1	Rossmann-like	LigPlot