Figure 4. Reference COX inhibitors used for prospective screening with the shape descriptor.

Indomethacin (top, PDB ID 4cox), a non-selective COX inhibitor, and, SC-558 (bottom, PDB ID 6cox), a selective COX-2 inhibitor.

Indomethacin (top, PDB ID 4cox), a non-selective COX inhibitor, and, SC-558 (bottom, PDB ID 6cox), a selective COX-2 inhibitor.