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 |
---|---|---|---|---|---|
THR | 754 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 791 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 806 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 809 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 864 | Phosphorylation | PyMOL_Chai1 | ||
SER | 891 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 905 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 928 | Phosphorylation | PyMOL_Chai1 |