Submission Details
Molecule(s):
O=C1[C@H](c2cccc(Cl)c2)OCCN1c1cncc2ccccc12
Design Rationale:
This design is derived from PET-UNK-c9c1e0d8-3 by replacing a methylene group with oxygen.
Other Notes:
I have submitted the design as a single enantiomer although it may be more convenient to synthesize and assay as racemate. The docking uses the X10959 (ADA-UCB-6c2cb422-1) X-ray crystal structure and the crystallographic ligand is also included in the structure file for the docking. I see PET-UNK-c9c1e0d8-3 as a higher priority than this design.