PDB ligand accession: STI
DrugBank: DB00619
PubChem:
ChEMBL:
InChI Key: KTUFNOKKBVMGRW-UHFFFAOYSA-N
SMILES: CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 703 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 788 | Phosphorylation | PyMOL_RFAA | ||
TYR | 792 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 |