Ligand name: N-(benzylcarbamothioyl)-L-histidine
PDB ligand accession: 95I
DrugBank: n/a
PubChem: 778529;6581688;
ChEMBL: n/a
InChI Key: VVJPSFQYFNALGR-LBPRGKRZSA-N
SMILES: c1ccc(cc1)CNC(=S)NC(Cc2c[nH]cn2)C(=O)O
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
7SF5	Download	Experimental	e7sf5A1 e7sf5B1	Rossmann-like Rossmann-like	LigPlot