PDB ligand accession: P31
DrugBank: DB12978
PubChem:
ChEMBL:
InChI Key: JGWRKYUXBBNENE-UHFFFAOYSA-N
SMILES: FC(F)(F)C1=CC=C(CNC2=NC=C(CC3=CNC4=NC=C(Cl)C=C34)C=C2)C=N1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 546 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
THR | 567 | Phosphorylation | PyMOL_RFAA | ||
LYS | 586 | Ubiquitination |