Submission Details

AVI-UNI-a66764d4
Molecule(s):
O=C(CCl)NC1=Nc2ccccc2Sc2ccc(Cl)cc21

AVI-UNI-a66764d4-1

O=C(CCl)NC1=Nc2ccccc2Sc2ccc(Cl)cc21

O=C(CCl)NC1=Nc2cc(C(=O)O)ccc2Sc2ccc(Cl)cc21

AVI-UNI-a66764d4-2

O=C(CCl)NC1=Nc2cc(C(=O)O)ccc2Sc2ccc(Cl)cc21

NC(=O)c1ccc2c(c1)Sc1ccc(Cl)cc1C(NC(=O)CCl)=N2

AVI-UNI-a66764d4-3

NC(=O)c1ccc2c(c1)Sc1ccc(Cl)cc1C(NC(=O)CCl)=N2

Design Rationale:

Superposed fragment-protein complexes and designed inhibitor by mix-and-match approach.

Inspired By:
Discussion:

Contributor: Avinash Punekar, University of Dundee - Wed, 01 Apr 2020 22:24:15 +0000