PDB ligand accession: BMU
DrugBank: DB02277
PubChem:
ChEMBL:
InChI Key: FWIJKWMXNHRSRO-UHFFFAOYSA-N
SMILES: CN1N=C(C=C1NC(=O)NC1=CC=C(Cl)C=C1)C(C)(C)C
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 53 | Acetylation | PyMOL_RFAA | ||
SER | 32 | Phosphorylation | PyMOL_RFAA | ||
TYR | 323 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 140 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 35 | Phosphorylation | PyMOL_Chai1 | ||
SER | 37 | Phosphorylation | PyMOL_RFAA | ||
LYS | 152 | Acetylation | PyMOL_RFAA | ||
LYS | 152 | Ubiquitination |