Submission Details

Molecule(s):

Design Rationale:

Fragment merge ideas of fragments X_0305, X_0072 and X_0387. This has been eye in PyMol conserving H-bonding to residues Q189, S46. The three fragments have a common overlapping aromatic ring motif. The 2-aminopyridine motif is commonplace in medicinal chemistry so would seem a good starting point for synthesis. The ideas alter the 3 and 5 positions of the pyridine ring to explore SAR.

Other Notes:

C1=C(CNS(C)(=O)=O)C(N)=NC=C1C, C1C(C#N)=CN=C(N)C=1CNS(=O)(=O)C, C1C(C)=CN=C(NC)C=1CNS(=O)(=O)C, C1C(C)=CN=C(N)C=1CNS(=O)(=O)C(F)(F)F, C1C(C)=CN=C(N)C=1CN1CCC(O)CC1, C1C(CN2CCC(O)CC2)=C(N)N=CC=1C#N

Inspired By:
Discussion: