PDB ligand accession: IHI
DrugBank: DB07967
PubChem:
ChEMBL:
InChI Key: JJNKDTWKWYLERH-UHFFFAOYSA-N
SMILES: N#CC1=NC2=C(N=CN2C2CCCC2)C(NC2=CC=CC=C2OCCCN2C=CN=C2)=N1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| TYR | 203 | Phosphorylation | PyMOL_Chai1 | ||
| CYS | 139 | S-nitrosylation | PyMOL_Chai1 |