PDB ligand accession: 8X7
DrugBank: DB11740
PubChem:
ChEMBL:
InChI Key: BKWJAKQVGHWELA-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C1=CC=C(NC2=NC=C3C(=O)N(CC=C)N(C3=N2)C2=NC(=CC=C2)C(C)(C)O)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 307 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 312 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 |