PDB ligand accession: PIL
DrugBank: DB01791
PubChem:
ChEMBL:
InChI Key: RRRUXBQSQLKHEL-UHFFFAOYSA-N
SMILES: COC1=CC=C(C=C1OC1CCCC1)C(=O)NC1=C(Cl)C=NC=C1Cl
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 521 | Acetylation | PyMOL_RFAA | ||
SER | 601 | Phosphorylation | PyMOL_RFAA | ||
SER | 610 | Phosphorylation | PyMOL_RFAA | ||
TYR | 652 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 |