PDB ligand accession: INA
DrugBank: DB03891
PubChem:
ChEMBL:
InChI Key: HGDUWJVGIGLVOH-ZEQRLZLVSA-N
SMILES: [H]N(N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)OCC1=CC=CC=C1)C(=O)N([H])N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)OCC1=CC=CC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 203 | Phosphorylation | PyMOL_Chai1 | ||
CYS | 139 | S-nitrosylation | PyMOL_Chai1 |