PDB ligand accession: 1N1
DrugBank: DB01254
PubChem:
ChEMBL:
InChI Key: ZBNZXTGUTAYRHI-UHFFFAOYSA-N
SMILES: CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| TYR | 253 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 257 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 267 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 312 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 320 | Phosphorylation | PyMOL_Chai1 |