Submission Details
Molecule(s):
CNC(=O)CN1CC2(N=CN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O
CNC(=O)C1(N2CC3(N=CN(c4cncc5ccccc45)C3=O)c3cc(Cl)ccc3C2=O)CC1
CNC(=O)CN1CC2(C=CN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O
CNC(=O)C1(N2CC3(C=CN(c4cncc5ccccc45)C3=O)c3cc(Cl)ccc3C2=O)CC1
CNC(=O)CN1CC2(C(=O)N(c3cncc4ccccc34)C=C2F)c2cc(Cl)ccc2C1=O
CNC(=O)C1(N2CC3(C(=O)N(c4cncc5ccccc45)C=C3F)c3cc(Cl)ccc3C2=O)CC1
Design Rationale:
Build on design EDJ-MED-fed7ac0b aiming for aromatic C-H to act as hydrogen bond donor to Cys 145 S-. F pyrollidone suggested by Jag Heer.