Submission Details
Molecule(s):
NS(=O)(=O)c1ccc2c(c1)N[C@@H](C[C@H](c1ccc(Br)s1)N1CCN(C(=O)CCl)CC1)CC2
Design Rationale:
merged both fragments due to the closeness of their binding sites. Optimization (MM) did not cause large changes in binding mode
NS(=O)(=O)c1ccc2c(c1)N[C@@H](C[C@H](c1ccc(Br)s1)N1CCN(C(=O)CCl)CC1)CC2
merged both fragments due to the closeness of their binding sites. Optimization (MM) did not cause large changes in binding mode