Submission Details

AVI-UNI-cf069e49
Molecule(s):
CN1CCn2c(cc(C3=CC(=O)CO3)c(-c3coc4ncccc34)c2=O)C1

AVI-UNI-cf069e49-1

CN1CCn2c(cc(C3=CC(=O)CO3)c(-c3coc4ncccc34)c2=O)C1

CN1Cc2cc(C3=CC(=O)CO3)c(-c3coc4ncccc34)c(=O)n2CC1C1CCNC(=O)C1

AVI-UNI-cf069e49-2

CN1Cc2cc(C3=CC(=O)CO3)c(-c3coc4ncccc34)c(=O)n2CC1C1CCNC(=O)C1

Design Rationale:

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

Inspired By:
Discussion:

Contributor: Avinash Punekar, University of Dundee - Sun, 22 Mar 2020 10:10:25 +0000