PDB ligand accession: P30
DrugBank: DB12874
PubChem:
ChEMBL:
InChI Key: CVWXJKQAOSCOAB-UHFFFAOYSA-N
SMILES: CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C=C2)C2=CN3C(SC4=C3C=CC(OCCN3CCOCC3)=C4)=N2)=NO1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 768 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
THR | 820 | Phosphorylation | PyMOL_Chai1 |