PDB ligand accession: AAI
DrugBank: DB07330
PubChem:
ChEMBL:
InChI Key: KXSIHXHEHABEJX-UHFFFAOYSA-N
SMILES: CCCN1CCC(CC1)C1=NC2=CC=CC(C(N)=O)=C2N1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
ARG | 878 | Methylation | PyMOL_RFAA PyMOL_RFAA PyMOL_RFAA | ||
SER | 864 | Phosphorylation | PyMOL_RFAA | ||
SER | 757 | Phosphorylation | PyMOL_RFAA | ||
MET | 900 | Sulfoxidation | PyMOL_RFAA |