PDB ligand accession: C1N
DrugBank: DB04653
PubChem:
ChEMBL:
InChI Key: JCRSHQCFRMCMOC-GSDHBNRESA-N
SMILES: [H]N([C@@H](CC(C)C)C(=O)N([H])[C@@H](CC(C)C)C(=O)N([H])[C@@H](CC1=CC=C(O)C=C1)C(=O)CF)C(=O)OCC1=CC=CC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 270 | Acetylation | PyMOL_RFAA | ||
SER | 251 | Phosphorylation | PyMOL_RFAA | ||
SER | 256 | Phosphorylation | PyMOL_RFAA | ||
LYS | 71 | Ubiquitination | |||
LYS | 79 | Ubiquitination |