PDB ligand accession: 319
DrugBank: DB06995
PubChem:
ChEMBL:
InChI Key: USBSTVPJNQLYEM-UHFFFAOYSA-N
SMILES: NC1=NC=CC(OC2=C(F)C=C(NC(=O)NC(=O)CC3=CC=C(F)C=C3)C=C2)=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 1110 | Acetylation | PyMOL_RFAA | ||
TYR | 1093 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
LYS | 1161 | Ubiquitination |