Submission Details
Molecule(s):
Cc1ccc(OCC(=O)N2CCN(CCN3CCN(CCC4CN=C5N=CC=CC54)CC3)CC2)cc1
CC1CC=NCC1NC(=O)COCN1CCCc2ccc(S(N)(=O)=O)cc21
Design Rationale:
Design covers two parts of the pocket. This comes from two non-covalent hits 1093 and 0354. Both C1's linked to create a large molecule. The second again covers two parts of the pocket. This one also comes from two non-covalent hits 0107 and 0195. The C1 carbons are linked with an oxygen to help reduce the 2+ angstrom gap between 0107 and 0195
Other Notes:
Fragment 0354 was not in the drop down but that was linked with 1093 to create the first design.