Submission Details
Molecule(s):
CS(O)(O)CCN(Cc1cccc2ccc(CN)cc12)C(O)Cc1cnccc1N
Design Rationale:
(A repeat submission of a previous attempted submission; apologies if duplicated) Modelled by eye in PyMoL, based on fragments listed below. Covers active site and aromatic wheel. C11 of fragment x0107 replaced with NH2 for bonding to Asn142. 5 H-bond donors, 7 acceptors, ~400Da.
Other Notes:
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