PDB ligand accession: 320
DrugBank: DB06997
PubChem:
ChEMBL:
InChI Key: BMPOCDJEXAXXEZ-UHFFFAOYSA-N
SMILES: FC1=CC=C(CC(=O)NC(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CN4)C=C2)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 1190 | Acetylation | PyMOL_RFAA | ||
LYS | 1110 | Acetylation | PyMOL_RFAA | ||
TYR | 1093 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
LYS | 1161 | Ubiquitination | |||
LYS | 1190 | Ubiquitination |