PDB ligand accession: VDN
DrugBank: DB00862
PubChem: 110634;135400189;
ChEMBL:
InChI Key: SECKRCOLJRRGGV-UHFFFAOYSA-N
SMILES: CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 802 | Phosphorylation | PyMOL_RFAA |