PDB ligand accession: Q4J
DrugBank: DB15822
PubChem: n/a
ChEMBL:
InChI Key: GBLBJPZSROAGMF-RWYJCYHVSA-N
SMILES: CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1
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 | ||
SER | 891 | Phosphorylation | PyMOL_Chai1 |