Submission Details
Molecule(s):
O=c1cc(-c2cccc(CS)c2CC2=CCc3c(cc(O)c(O)c3O)O2)oc2cc(O)c(O)c(O)c12
Design Rationale:
Docking with AutodockVina in Chimera. I noticed when docking 6M2N that the two rings fit well by Asn142 and Glu166 as well as by Thr25 and Ser46, so I added a second set of rings and the energy improved. The sulfur was added in attempt to for a disulfide bond with Met16.