PDB ligand accession: LIH
DrugBank: DB03351
PubChem:
ChEMBL:
InChI Key: KMSATRJZEXNGDP-UHFFFAOYSA-N
SMILES: CC1=C(CNC2=CC=CC3=NC=CC=C23)C=NC2=NC(N)=NC(N)=C12
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 64 | Acetylation | PyMOL_RFAA | ||
THR | 39 | Phosphorylation | PyMOL_RFAA | ||
TYR | 178 | Phosphorylation | PyMOL_Chai1 | ||
LYS | 179 | Ubiquitination |