PDB ligand accession: NDP
DrugBank: DB02338
PubChem: 5884;134821689;
ChEMBL:
InChI Key: ACFIXJIJDZMPPO-NNYOXOHSSA-N
SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 392 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
SER | 227 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
MET | 377 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 307 | Ubiquitination |