PDB ligand accession: U66
DrugBank: DB08676
PubChem:
ChEMBL: n/a
InChI Key: GBEQWWUQNVMGMR-LLHWJCAFSA-N
SMILES: [H][C@]12CCN(C1=O)C1=CC=CC3=C1C=C(OC1([H])CC(CN4C=NC=C4CCN2)=CC[C@]1([H])C#N)C=C3
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 300 | Phosphorylation | PyMOL_Chai1 |