PDB ligand accession: 5BN
DrugBank: DB07163
PubChem:
ChEMBL:
InChI Key: CQCXWWWNUFQYJS-UHFFFAOYSA-N
SMILES: NCCNC1=CC(C2=CC=CN2)=C2C(=O)NC3=CC=C(F)C1=C23
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 33 | Acetylation | PyMOL_RFAA | ||
LYS | 9 | Acetylation | PyMOL_RFAA | ||
LYS | 20 | Acetylation | PyMOL_RFAA | ||
TYR | 19 | Phosphorylation | PyMOL_Chai1 | ||
LYS | 9 | Ubiquitination | |||
LYS | 20 | Ubiquitination | |||
LYS | 33 | Ubiquitination | |||
LYS | 129 | Ubiquitination | |||
LYS | 142 | Ubiquitination |