Submission Details
Molecule(s):
O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)C(CNCN(C(=O)Nc2cccnc2)c2ccccc2)C1
Design Rationale:
There is an asparagine (ASN 142) that seems to be forming a hydrogen bond in this active site. The oxygen in the amide appears to be the part in the hydrogen bond. Also, the nitrogens on X0434 appear to be in the same hydrogen bond. So, I made a connection with carbons but an NH in the middle to interact with the ASN 142 (oxygen in the amide) and connect the two fragments.