Submission Details

IVS-FNM-4c9eb54d
Molecule(s):
COC(=O)N(CCC1CCc2ccncc2C1)C(CC(C#N)C(C)(C)Cc1ccc(Cl)cc1)C1CCCCC1

IVS-FNM-4c9eb54d-1

COC(=O)N(CCC1CCc2ccncc2C1)C(CC(C#N)C(C)(C)Cc1ccc(Cl)cc1)C1CCCCC1

Design Rationale:

I built this structure trying to find a large molecule that fits closely in the grooves of the active site. I used autodock vina to get the binding energy.

Discussion:

Contributor: IVS, FNM(Franklin & Marshall College) - Tue, 06 Oct 2020 18:28:28 +0000