Submission Details
Molecule(s):
O=C(CCl)N1CCN(Cc2cc(Cl)ccc2CNC(=O)N2CCOCC2)CC1
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.