Submission Details

Molecule(s):
Nc1cc(C(OCc2cc(O)cc(CO)c2)=[SH]2=CN=CN=C2)ccc1S(N)(=O)=O

ANG-FNM-a90d6b06-1

Nc1cc(C(OCc2cc(O)cc(CO)c2)=[SH]2=CN=CN=C2)ccc1S(N)(=O)=O


Design Rationale:

Used Vina Autodock to obtain a binding free energy change of -7.9

Discussion: