Submission Details
Molecule(s):
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cccc(C)c12
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cccc(F)c12
COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cccc(OC)c12
Design Rationale:
Analogues to MAT-POS-916a2c5a-2 addressing non-ideal conformation in crystal structure round quinolone-CONHR bond. Matched triplet of compounds also to test if electronics at the peri position affects the C=O quinolone HBA with His 163.