PDB ligand accession: C6F
DrugBank: DB12141
PubChem:
ChEMBL:
InChI Key: GYQYAJJFPNQOOW-UHFFFAOYSA-N
SMILES: CCC1=C(NC2CCOCC2)N=C(NC2=CC=C(N3CCC(CC3)N3CCN(C)CC3)C(OC)=C2)C(=N1)C(N)=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 842 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
THR | 820 | Phosphorylation | PyMOL_RFAA |