PDB ligand accession: BI8
DrugBank: DB01946
PubChem:
ChEMBL:
InChI Key: UQHKJRCFSLMWIA-UHFFFAOYSA-N
SMILES: CN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CN(CCCN)C2=C1C=CC=C2
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| SER | 92 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 126 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 160 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 161 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 245 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 170 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 94 | Phosphorylation | PyMOL_RFAA | ||
| THR | 95 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 111 | Ubiquitination |