Submission Details

KEN-MCD-4729dc98
Molecule(s):
O=C(C1CN(c2ccccc2)C(=O)N(c2cccnc2)C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1

KEN-MCD-4729dc98-1

O=C(C1CN(c2ccccc2)C(=O)N(c2cccnc2)C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
Design Rationale:

I think that this is a good fragment that links X_0434_0 and X_0691_0 together because it keeps the essential carbonyl in the middle but stabilizes the amines there by joining in a ring, and then connecting the other fragment on the bottom while still keeping those pharmacophoric elements that are needed in the active site.

Inspired By:
Discussion:

Contributor: Kendall Hanak, McDaniel College - Fri, 01 May 2020 01:13:23 +0000