Submission Details

Molecule(s):
CC(=O)NCc1cc2c(cc1CCCC(=O)Nc1cnccc1C)OCO2

NAT-WAB-78d8bb1c-1

CC(=O)NCc1cc2c(cc1CCCC(=O)Nc1cnccc1C)OCO2

CC(=O)NCc1cc2c(cc1CCCCCc1ccncc1NC(C)=O)OCO2

NAT-WAB-78d8bb1c-2

CC(=O)NCc1cc2c(cc1CCCCCc1ccncc1NC(C)=O)OCO2


Design Rationale:

My design rationale is based off an approach which combines both covalent fragment (0752) with a non-covalent fragment (0701). I chose these two because I thought they interacted in separate, but nearby pockets, almost around this small projection over the active sight.

Inspired By:
Discussion: