PDB ligand accession: 0LI
DrugBank: DB08901
PubChem:
ChEMBL:
InChI Key: PHXJVRSECIGDHY-UHFFFAOYSA-N
SMILES: CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 801 | Phosphorylation | |||
SER | 803 | Phosphorylation | |||
SER | 1037 | Phosphorylation | |||
SER | 884 | Phosphorylation |