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 |