Ligand name: ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide
PDB ligand accession: GQQ
DrugBank: n/a
PubChem: 137349447
ChEMBL: n/a
InChI Key: COXIIRGPLZWLTL-DSITVLBTSA-N
SMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)c2cnccn2
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 Q99436

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HTP	Download	Experimental	e6htpH1 e6htpI1 e6htpZ1 e6htpV1 e6htpW1 e6htpL1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot