PDB ligand accession: PP2
DrugBank: DB03023
PubChem: n/a
ChEMBL: n/a
InChI Key: PBBRWFOVCUAONR-UHFFFAOYSA-O
SMILES: CC(C)(C)N1[NH+]=C(C2=C1N=CN=C2N)C1=CC=C(Cl)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 273 | Acetylation | PyMOL_RFAA | ||
SER | 274 | Phosphorylation | PyMOL_RFAA | ||
TYR | 313 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 318 | Phosphorylation | PyMOL_Chai1 | ||
SER | 323 | Phosphorylation | PyMOL_RFAA | ||
SER | 373 | Phosphorylation | PyMOL_RFAA |