PDB ligand accession: CIR
DrugBank: DB00155
PubChem: 9750;6992098;
ChEMBL:
InChI Key: RHGKLRLOHDJJDR-BYPYZUCNSA-N
SMILES: N[C@@H](CCCNC(N)=O)C(O)=O
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 176 | Acetylation | PyMOL_RFAA | ||
| LYS | 121 | Acetylation | PyMOL_RFAA | ||
| TYR | 83 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 87 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 91 | Phosphorylation | PyMOL_RFAA | ||
| SER | 92 | Phosphorylation | PyMOL_RFAA | ||
| THR | 119 | Phosphorylation | PyMOL_RFAA | ||
| SER | 180 | Phosphorylation | PyMOL_RFAA | ||
| SER | 278 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 282 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 322 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 190 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 323 | Phosphorylation | PyMOL_RFAA | ||
| MET | 181 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 176 | Ubiquitination |