PDB ligand accession: VIA
DrugBank: DB00203
PubChem: 5212;5281023;135398744;
ChEMBL:
InChI Key: BNRNXUUZRGQAQC-UHFFFAOYSA-N
SMILES: CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 802 | Phosphorylation | PyMOL_Chai1 |