PDB ligand accession: 14A
DrugBank: DB06859
PubChem:
ChEMBL:
InChI Key: XWIUMAPBZWNFNV-UHFFFAOYSA-N
SMILES: NC(=N)NOCCCOC1=CC(Cl)=CC(=C1)C(=O)N(CC=C)C1CCCC1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 599 | Acetylation | PyMOL_Chai1 | ||
SER | 539 | Phosphorylation | PyMOL_Chai1 | ||
THR | 540 | Phosphorylation | PyMOL_Chai1 |