PDB ligand accession: 3HT
DrugBank: DB07058
PubChem:
ChEMBL:
InChI Key: QBVJMUOTMRYUKR-UHFFFAOYSA-N
SMILES: COC1=CC=C(C=C1)N1C=NC2=C1C=C(C=C2)C1=NNC(=S)O1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 66 | Phosphorylation | PyMOL_RFAA | ||
TYR | 71 | Phosphorylation | PyMOL_Chai1 |