Submission Details
Molecule(s):
CS(=O)(=O)NCCc1cccnc1
CS(=O)(=O)NCCc1cccc(O)c1
CS(=O)(=O)NCCc1ccccc1O
CC(=O)NCCc1ccccc1
CS(=O)(=O)NCCc1cscn1
CS(=O)(=O)NCCc1ccc2nc(N)sc2c1
CS(=O)(=O)NCCc1ccc2ncsc2c1
CCNc1ccc(C#N)cc1CCNS(C)(=O)=O
CS(=O)(=O)NCCc1cc(C#N)ccc1NC(=O)N1CCOCC1
Design Rationale:
work on non covalent fragments around cysteine 145. Idea is to interact with glutamine 189, met 165 and maybe go a bit deeper in the pocket.