Submission Details

Molecule(s):
N#CC1(CS(=O)(=O)N2Cc3cc(Cl)c(Cl)cc3C3(C2)C(=O)N(c2cncc4ccccc24)C(=O)N3CC2CCC(=O)NC2)CC1

JOH-MSK-cef8a2bc-1

N#CC1(CS(=O)(=O)N2Cc3cc(Cl)c(Cl)cc3C3(C2)C(=O)N(c2cncc4ccccc24)C(=O)N3CC2CCC(=O)NC2)CC1


Design Rationale:

Combination of improvement of VLA-UNK-56836b69-2 over VLA-UCB-50c39ae8-2 (presumed to be due to second chloro substituent) with JOH-MSK-949975c8.

Other Notes:

Submitted to facilitate free energy calculations.

Inspired By:
Discussion: