PDB ligand accession: CIA
DrugBank: DB00820
PubChem:
ChEMBL:
InChI Key: WOXKDUGGOYFFRN-IIBYNOLFSA-N
SMILES: [H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(C)C2=O)C1=CC2=C(OCO2)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 802 | Phosphorylation | PyMOL_RFAA |