PDB ligand accession: HM2
DrugBank: DB07901
PubChem:
ChEMBL:
InChI Key: HIUOABSWQSUEGK-UHFFFAOYSA-N
SMILES: CC1=C(Cl)C(NCCC2=CC=CC=C2)=NC(=N1)C1=NC=CC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 182 | Phosphorylation | PyMOL_RFAA | ||
TYR | 186 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 187 | Phosphorylation | PyMOL_Chai1 | ||
SER | 290 | Phosphorylation | PyMOL_RFAA | ||
TYR | 291 | Phosphorylation | PyMOL_Chai1 | ||
LYS | 123 | Ubiquitination | |||
LYS | 191 | Ubiquitination |