Submission Details
Molecule(s):
CC(Cc1c[nH]c2ccccc12)C(=O)NCC(C)C(Cc1ccccc1)c1ccccc1
Design Rationale:
fulfills the Lipinski's rule of 5. structure contains a ring on one end that mimics the tryptophan ring from fragment 1093, this ring resides in the pocket right above the cysteine of the active site The other end of the two structures contains two phenyl rings which resembles many of the noncovalent inhibitors, this phenyl ring resides in the pocket right by the cysteine(not above)