PDB ligand accession: DBQ
DrugBank: DB04367
PubChem: 5288032;135451156;
ChEMBL:
InChI Key: JYRJOQGKGMHTOO-VURMDHGXSA-N
SMILES: NC1=NC(=O)\C(N1)=C1/CCNC(=O)C2=C1C=CN2
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 136 | Phosphorylation | PyMOL_RFAA | ||
TYR | 193 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
THR | 205 | Phosphorylation | PyMOL_RFAA | ||
SER | 212 | Phosphorylation | PyMOL_RFAA |