PDB ligand accession: BO2
DrugBank: DB00188
PubChem:
ChEMBL:
InChI Key: GXJABQQUPOEUTA-RDJZCZTQSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CN=CC=N1)B(O)O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 105 | Phosphorylation | |||
TYR | 96 | Phosphorylation | |||
LYS | 72 | Acetylation | |||
THR | 44 | Phosphorylation | |||
THR | 45 | Phosphorylation | |||
MET | 67 | Sulfoxidation | |||
LYS | 72 | Ubiquitination | |||
LYS | 91 | Acetylation | |||
LYS | 91 | Malonylation | |||
SER | 87 | Phosphorylation | |||
SER | 191 | Phosphorylation | |||
TYR | 228 | Phosphorylation | |||
SER | 189 | Phosphorylation | |||
SER | 229 | Phosphorylation | |||
TYR | 84 | Phosphorylation | |||
THR | 89 | Phosphorylation | |||
LYS | 91 | Ubiquitination | |||
TYR | 135 | Phosphorylation | PyMOL_Chai1 | ||
SER | 157 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 158 | Phosphorylation | PyMOL_Chai1 | ||
SER | 151 | Phosphorylation | PyMOL_Chai1 | ||
LYS | 164 | Ubiquitination | |||
LYS | 67 | Acetylation | |||
ARG | 63 | Methylation | |||
THR | 54 | Phosphorylation | |||
THR | 55 | Phosphorylation | |||
THR | 56 | Phosphorylation | |||
SER | 58 | Phosphorylation | |||
TYR | 59 | Phosphorylation | |||
THR | 69 | Phosphorylation | |||
SER | 203 | Phosphorylation | |||
SER | 204 | Phosphorylation | |||
THR | 65 | Phosphorylation | |||
LYS | 67 | Ubiquitination | |||
SER | 77 | Phosphorylation | |||
TYR | 75 | Phosphorylation |