PDB ligand accession: DB8
DrugBank: DB06616
PubChem:
ChEMBL:
InChI Key: UBPYILGKFZZVDX-UHFFFAOYSA-N
SMILES: COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| TYR | 253 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| TYR | 257 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| THR | 267 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 312 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| TYR | 320 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 |