PDB ligand accession: D13
DrugBank: DB07607
PubChem:
ChEMBL: n/a
InChI Key: RXDZANYWRNIAOR-HHHXNRCGSA-N
SMILES: C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC(I)=CC=C1)C1=CC=NC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 233 | Acetylation | PyMOL_RFAA | ||
ARG | 256 | Methylation | PyMOL_RFAA PyMOL_RFAA PyMOL_RFAA | ||
TYR | 258 | Phosphorylation | PyMOL_Chai1 |