Submission Details

Molecule(s):
O=C(CCl)Nc1nc2c(C(=O)NCCc3cccc(F)c3)cccc2s1

WAL-WAB-df110a02-1

O=C(CCl)Nc1nc2c(C(=O)NCCc3cccc(F)c3)cccc2s1

Cc1cccc(C(c2ccc(C)s2)N2CCN(C(=O)CCl)CC2)c1

WAL-WAB-df110a02-2

Cc1cccc(C(c2ccc(C)s2)N2CCN(C(=O)CCl)CC2)c1

piperazine-chloroacetamide Check Availability on Manifold View

Design Rationale:

This time I looked at both covalent and noncovalent hits, and I began with 1348 and used an amide bond to link to 0072 (but with a fluorine like 1382. I also created another derivative using 692 and 1334, they had a similar scaffold, but branched to two areas of the pocket.

Inspired By:
Discussion: