Submission Details

NIR-THE-b7e8e081
Molecule(s):
C=CC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1

NIR-THE-b7e8e081-1

C=CC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)CN1CCN(C(=O)CCl)CC1

NIR-THE-b7e8e081-2
Duplicate of:
BEN-DND-6de5dfa0-16

Cc1ccncc1NC(=O)CN1CCN(C(=O)CCl)CC1

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

Covalentization of BEN-DND-93268d01-8 - targeting Cys 44 instead of the catalytic cysteine. The structure x11417 places the warhead directly adjacent to it.

Inspired By:
Discussion:

Contributor: Nir London, The Weizmann Institute of Science - Fri, 11 Dec 2020 20:32:44 +0000