Submission: AND-WAB-9085730e

AND-WAB-9085730e

Molecule(s):

AND-WAB-9085730e-1

CN1CCN(C(O)CC2CNCNC2)CC1

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AND-WAB-9085730e-2

CC1CCNCC1NC(O)C(CCNS(C)(O)O)C1CCCCC1

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Design Rationale:

This compound retains most of x1093 within the pocket which spans to two areas. A six-membered ring related to x0995 is substituted where these two fragments would overlap. The other is based on x0072 which connects to x0107 and is close enough for a C-C bond there. This compund would retain non-covalent interactions of the individual fragments.