PDB ligand accession: ZQU
DrugBank: DB06191
PubChem: n/a
ChEMBL:
InChI Key: IHOVFYSQUDPMCN-DBEBIPAYSA-N
SMILES: [H][C@]12C3=CC=CC=C3[C@H](N3CCN(C[C@@H](O)COC4=CC=CC5=C4C=CC=N5)CC3)C3=CC=CC=C3[C@@]1([H])C2(F)F
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 943 | Phosphorylation | PyMOL_RFAA | ||
THR | 945 | Phosphorylation | PyMOL_RFAA | ||
TYR | 950 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 952 | Phosphorylation | PyMOL_RFAA | ||
TYR | 953 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 |