PDB ligand accession: BI5
DrugBank: DB07459
PubChem:
ChEMBL:
InChI Key: HVLSCZSVTCNAQX-UHFFFAOYSA-N
SMILES: O=C(NCC1=NC=CC=C1)C1=CC=C(OC2=CC=CC=C2)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 53 | Acetylation | PyMOL_RFAA | ||
SER | 28 | Phosphorylation | PyMOL_RFAA | ||
SER | 37 | Phosphorylation | PyMOL_RFAA |