Ligand name: (S)-2-((S)-3-isobutyl-2,5-dioxo-4-quinolin-3-ylmethyl-[1,4]diazepan-1yl)-N-methyl-3-naphtalen-2-yl-propionamide
PDB ligand accession: LA1
DrugBank: DB04724
PubChem: 5326914
ChEMBL: CHEMBL446435
InChI Key: COVPLULNDBDXTN-KYJUHHDHSA-N
SMILES: CNC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)N1CCC(=O)N(CC2=CC3=CC=CC=C3N=C2)[C@@H](CC(C)C)C1=O
Drug action: n/a

List of small molecule binding-associated PTMs for P20701

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
THR	189	Phosphorylation		PyMOL_RFAA
SER	190	Phosphorylation		PyMOL_RFAA
TYR	191	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1
SER	304	Phosphorylation		PyMOL_RFAA
SER	308	Phosphorylation		PyMOL_RFAA
LYS	321	Ubiquitination