PDB ligand accession: HDI
DrugBank: DB07888
PubChem:
ChEMBL:
InChI Key: AIXMJTYHQHQJLU-SNVBAGLBSA-N
SMILES: [H][C@]1(CC(=O)OC)CC(=NO1)C1=CC=C(O)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 113 | O-linked_glycosylation | |||
TYR | 37 | Phosphorylation | PyMOL_Chai1 | ||
MET | 3 | Sulfoxidation | PyMOL_RFAA | ||
ARG | 94 | Methylation | PyMOL_RFAA PyMOL_RFAA PyMOL_RFAA | ||
CYS | 60 | S-nitrosylation | PyMOL_RFAA | ||
TYR | 76 | Phosphorylation | PyMOL_Chai1 |