Submission Details
Molecule(s):
O=C[C@@]1(c2ccccc2)COCC(c2cc(Cl)ccc2O)=N1
Design Rationale:
favorable binding energy estimate (-14+/-3kcal), aldehyde near cys 145
Other Notes:
looks hard to make, the imine looks like it could make addition of the cyst 145 to the aldehyde less likely