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 P08263

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3IK9	Download	Experimental	e3ik9A1 e3ik9A2 e3ik9B1 e3ik9A1 e3ik9B1 e3ik9B2 e3ik9C1 e3ik9C2 e3ik9D1 e3ik9C1 e3ik9D1 e3ik9D2 e3ik9F4 e3ik9E1 e3ik9E2 e3ik9F3 e3ik9F4 e3ik9E1 e3ik9E2 e3ik9G1 e3ik9G2 e3ik9H1 e3ik9G1 e3ik9G2 e3ik9H1 e3ik9H2	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 Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like	LigPlot