Submission: AND-WAB-bfd3647f

AND-WAB-bfd3647f

Molecule(s):

AND-WAB-bfd3647f-1

CS(O)(O)NCCC(c1ccccc1)C(O)Nc1ccccn1

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AND-WAB-bfd3647f-2

CN1CCN(C(O)Cc2cncnc2)CC1

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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. *This one contains the appropriate aromatic rings