PDB ligand accession: IHX
DrugBank: DB07969
PubChem:
ChEMBL:
InChI Key: QNCYYRHIUFGGJX-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C1=NC2=C(C=C(C=C2N=C1)C(F)(F)F)C1=CC(O)=CC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 1110 | Acetylation | PyMOL_Chai1 | ||
TYR | 1093 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 1230 | Phosphorylation | PyMOL_Chai1 | ||
LYS | 1161 | Ubiquitination | |||
LYS | 1232 | Ubiquitination |