Submission Details

DAN-MCD-93e7aadc
Molecule(s):
O=C(NCC1CCCCC1)[C@@H]1CN(C(=O)CCl)CCN1S(=O)(=O)c1ccsc1

DAN-MCD-93e7aadc-1

O=C(NCC1CCCCC1)[C@@H]1CN(C(=O)CCl)CCN1S(=O)(=O)c1ccsc1

piperazine-chloroacetamide Assayed Check Availability on Manifold View
Design Rationale:

The design of this compound comes from a very potent fragment MAT-POS-ee51dedd2. Crystallography analysis would suggest that building a group from one of the piperazine carbons may provide a bridge to the pocket where several of the 3-aminopyridine like fragments are bound (fragment linking).

Discussion:

Contributor: Dana Ferraris, McDaniel College - Tue, 24 Aug 2021 15:48:45 +0000