PDB ligand accession: BI2
DrugBank: DB07456
PubChem:
ChEMBL: n/a
InChI Key: LBFDERUQORUFIN-QGZVFWFLSA-N
SMILES: [H]N1C=C(C2=CC=CC=C12)C1=C(C(=O)N([H])C1=O)C1=CN(CC[C@H]2CCCN2C)C2=CC=CC=C12
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 92 | Phosphorylation | PyMOL_RFAA | ||
SER | 160 | Phosphorylation | PyMOL_RFAA | ||
TYR | 161 | Phosphorylation | PyMOL_Chai1 | ||
THR | 245 | Phosphorylation | PyMOL_RFAA | ||
SER | 94 | Phosphorylation | PyMOL_RFAA | ||
THR | 95 | Phosphorylation | PyMOL_RFAA | ||
LYS | 111 | Ubiquitination |