Ligand name: N-[(2S)-4-Methyl-1-oxo-1-{[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-2-pentanyl]-1-benzofuran-2-carboxamide
PDB ligand accession: 2CA
DrugBank: DB03642
PubChem: 5287468
ChEMBL: CHEMBL286364
InChI Key: VBPPNJCVXGAZDD-PMACEKPBSA-N
SMILES: CC(C)C[C@H](NC(=O)C1=CC2=C(O1)C=CC=C2)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)C1=CC=CC=N1
Drug action: n/a

List of small molecule binding-associated PTMs for P43235

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
TYR	203	Phosphorylation			PyMOL_Chai1
CYS	139	S-nitrosylation			PyMOL_Chai1