PDB ligand accession: 89I
DrugBank: DB07280
PubChem:
ChEMBL:
InChI Key: AINVOEOJEKKMKB-UHFFFAOYSA-N
SMILES: CN(C)C1=CC=C(C=C1)C1=C(N=CN=C1N)C#CC1=CC=C(N=C1)N1CCOCC1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| THR | 83 | Phosphorylation | PyMOL_RFAA | ||
| SER | 86 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 183 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 82 | Phosphorylation | PyMOL_RFAA |