Submission Details

NIR-WEI-acbd6416
Molecule(s):
C=C(C(=O)N1CCOc2ccc(Cl)cc21)c1cncc2ccccc12

NIR-WEI-acbd6416-1

C=C(C(=O)N1CCOc2ccc(Cl)cc21)c1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
C=C(C(=O)C1CCOc2ccc(Cl)cc21)c1cncc2ccccc12

NIR-WEI-acbd6416-2

C=C(C(=O)C1CCOc2ccc(Cl)cc21)c1cncc2ccccc12

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

Installing an electrophile on the scaffold of VLA-UCB-1dbca3b4-15, that according to (crude) modeling can reach the catalytic cysteine. The substituted acrylamide is extremely unreactive, but with nM reversible binding might still bind. The substituted enone should be sufficiently reactive

Inspired By:
Discussion:

Contributor: Nir London, Weizmann Institute of Science - Sat, 03 Oct 2020 09:31:16 +0000