Submission Details
Molecule(s):
O=C(c1ccc[nH]1)N1CC2CCCN(C(=O)CCl)C2C1
O=C(CCl)N1CCOc2cccc(-c3cccnc3)c21
Design Rationale:
Designs by eye, modify covalent hits to access His163 - Glu166 pocket. Other compounds related to main structures: O=C(N1CCCC2CN(CC12)C(=O)C1CCC1)CCl, O=C(CCl)N1C2C(CN(C(C3CCC3)=O)C2)CCC1, O=C(N1CCOC2C(=CC=C(C1=2)C1C=CC=NC=1)CC1CC1)CCl