PDB ligand accession: ESI
DrugBank: DB03136
PubChem:
ChEMBL: n/a
InChI Key: YERQOXAYAFWFEJ-UHFFFAOYSA-O
SMILES: NC(=[NH2+])C1=CC2=C(S1)C=CC=C2I
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 599 | Acetylation | PyMOL_Chai1 | ||
SER | 539 | Phosphorylation | PyMOL_Chai1 | ||
THR | 540 | Phosphorylation | PyMOL_Chai1 |