Submission Details
Molecule(s):
O=C(NCc1ccc(Cl)cc1CN1CCN(C(=O)CCl)CC1)[C@@H]1CCCOC1
Design Rationale:
Combination of covalent fragment x0770 with non-covalent x1249. Docking compound in to crystal structure does not overlap as expected but scores highly with the morpholine filling another pocket and the urea occupying a similar area to the sulfonamide in x0195.