Ligand name: (S)-4-(4-(3-(3-CARBAMIMIDOYLPHENYL)-2-(2,4,6-TRIISOPROPYLPHENYLSULFONAMIDO)PROPANOYL)PIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXIMIDAMIDE
PDB ligand accession: 672
DrugBank: n/a
PubChem: 6852211
ChEMBL: CHEMBL379586
InChI Key: KSEVHDWJTMMENT-HKBQPEDESA-N
SMILES: [H]N=C(c1cccc(c1)CC(C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)C(=N[H])N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)N
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 Q9Y5Y6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2GV7	Download	Experimental	e2gv7A1	cradle loop barrel	LigPlot