PDB ligand accession: CP3
DrugBank: DB04461
PubChem:
ChEMBL:
InChI Key: NIUVHXTXUXOFEB-UHFFFAOYSA-N
SMILES: CC1=C2CC3=C(C)C(CCC(O)=O)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 342 | Phosphorylation | PyMOL_Chai1 | ||
THR | 58 | Phosphorylation | PyMOL_RFAA | ||
MET | 36 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 104 | Ubiquitination | |||
CYS | 66 | Glutathionylation | PyMOL_RFAA |