Ligand name: 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-METHOXYCARBONYL-PHENYL}-2-FLUORO-MALONIC ACID
PDB ligand accession: 903
DrugBank: DB02432
PubChem: 447522
ChEMBL: CHEMBL357488
InChI Key: RLLAUERCSKPFGD-VMPREFPWSA-N
SMILES: CC(=O)NC(Cc1ccc(c(c1)C(=O)OC)C(C(=O)O)(C(=O)O)F)C(=O)NC2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P12931

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1O46	Download	Experimental	e1o46A1	SH2	LigPlot