PDB ligand accession: 4CP
DrugBank: DB07105
PubChem:
ChEMBL: n/a
InChI Key: IEEYGOJDTRVYGR-UHFFFAOYSA-N
SMILES: NC(N)=NC1=CC=C(CC(NC(=O)CSC2=CC=C(Cl)C=C2)C(N)=O)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 599 | Acetylation | PyMOL_Chai1 | ||
THR | 540 | Phosphorylation | PyMOL_Chai1 |