Ligand name: (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
PDB ligand accession: BOB
DrugBank: n/a
PubChem: 46173031
ChEMBL: n/a
InChI Key: CLEVVMDJDMEQKG-XQLPTFJDSA-N
SMILES: CCCCCC(C(CCO)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)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 O15217

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3IK7	Download	Experimental	e3ik7A1 e3ik7A2 e3ik7B1 e3ik7A1 e3ik7B1 e3ik7B2 e3ik7C1 e3ik7C2 e3ik7D1 e3ik7C1 e3ik7D1 e3ik7D2	Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like	LigPlot