Submission Details

JRB-FNM-72a26ad7
Molecule(s):
CC(=O)C1=CC2=C(CN(CC3C=CC=C3)C3CC(O)CC(CC4N=Cc5ccccc54)C3)C(CC3C=Nc4ccc(C(N)=O)cc43)=CC2C(CSO)=C1CCc1ccccc1

JRB-FNM-72a26ad7-1

CC(=O)C1=CC2=C(CN(CC3C=CC=C3)C3CC(O)CC(CC4N=Cc5ccccc54)C3)C(CC3C=Nc4ccc(C(N)=O)cc43)=CC2C(CSO)=C1CCc1ccccc1

Design Rationale:

Used Autodock Vina to dock and find binding energies.

Discussion:

Contributor: JRB, FNM - Tue, 06 Oct 2020 18:34:19 +0000