PDB ligand accession: CQA
DrugBank: DB00613
PubChem: 2165;3647519;
ChEMBL:
InChI Key: OVCDSSHSILBFBN-UHFFFAOYSA-N
SMILES: CCN(CC)CC1=C(O)C=CC(NC2=C3C=CC(Cl)=CC3=NC=C2)=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 10 | Phosphorylation | PyMOL_RFAA |