Submission Details

PED-UNI-292b67d6

Molecule(s):

Cc1ccncc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)cc1

PED-UNI-292b67d6-1

Cc1ccncc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)cc1

Check Availability on Manifold View

Design Rationale:

Two fragments combined due to the proximity of their binding sites. Energy minimization suggests most interactions are kept in the combined molecule

Inspired By:

COC(=O)c1ccc(S(N)(=O)=O)cc1

MAT-POS-7dfc56d9-1

CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8

Discussion:

Contributor: Pedro Silva, Univ. Fernando Pessoa - Mon, 23 Mar 2020 16:53:41 +0000