PDB ligand accession: CTC
DrugBank: DB09093
PubChem: n/a
ChEMBL:
InChI Key: CYDMQBQPVICBEU-XRNKAMNCSA-N
SMILES: [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC(Cl)=C1[C@@]3(C)O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 634 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
THR | 652 | Phosphorylation | PyMOL_RFAA | ||
LYS | 759 | Ubiquitination |