Ligand name: METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-9-OXO-NONANOYL]-3,4-DIHYDRO-2H-QUINOLINE-3-CARBOXYLATE
PDB ligand accession: C47
DrugBank: n/a
PubChem: 24836809
ChEMBL: CHEMBL1231601
InChI Key: VROPGBJWKDHPPG-WQJYWUQFSA-N
SMILES: CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(Cc2c1cccc2)C(=O)OC)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 P00797

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2V16	Download	Experimental	e2v16C2 e2v16C3 e2v16O2 e2v16O3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot