PDB ligand accession: 33A
DrugBank: DB07010
PubChem:
ChEMBL:
InChI Key: PDJZASCRQRBYQS-UHFFFAOYSA-N
SMILES: ClC1=CC(=CC=C1)C1=CNN=C1C1=CNC(=C1)C(=O)NCC1=CC=CC=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| SER | 29 | Phosphorylation | PyMOL_RFAA | ||
| SER | 41 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 64 | Phosphorylation | PyMOL_Chai1 | ||
| CYS | 166 | S-nitrosylation | PyMOL_RFAA |