Submission: NAU-LAT-0543f7f2

NAU-LAT-0543f7f2

Molecule(s):

NAU-LAT-0543f7f2-1

CC(=O)NCCOc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

3-aminopyridine-like Check Availability on Manifold View

NAU-LAT-0543f7f2-2

Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OCCNS(C)(=O)=O)c1

3-aminopyridine-like Check Availability on Manifold View

NAU-LAT-0543f7f2-3

CC(=O)NCCc1c[nH]c2c(CC(=O)Nc3cnccc3C)cc(Cl)cc12

3-aminopyridine-like Check Availability on Manifold View

NAU-LAT-0543f7f2-4

Cc1ccncc1NC(=O)Cc1cc(Cl)cc2c(CCNS(C)(=O)=O)c[nH]c12

3-aminopyridine-like Check Availability on Manifold View

NAU-LAT-0543f7f2-5

Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OCS(N)(=O)=O)c1

3-aminopyridine-like Check Availability on Manifold View

NAU-LAT-0543f7f2-6

Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NCS(N)(=O)=O)c1

3-aminopyridine-like Check Availability on Manifold View

NAU-LAT-0543f7f2-7

Cc1ccncc1NC(=O)Cc1cc(Cl)cc(CNS(N)(=O)=O)c1

3-aminopyridine-like Check Availability on Manifold View

NAU-LAT-0543f7f2-8

Cc1ccncc1NC(=O)Cc1cc(Cl)cc2oc(S(N)(=O)=O)cc12

3-aminopyridine-like Check Availability on Manifold View

NAU-LAT-0543f7f2-9

CC(=O)NCCOc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1

3-aminopyridine-like Check Availability on Manifold View

NAU-LAT-0543f7f2-10

CC(=O)NCCOc1cc(Cl)cc2c1OCCC2C(=O)Nc1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View

Design Rationale:

1) Combining (in Fragalysis) TRY-UNI-2EDDB1FF-7 and AAR-POS-D2A4D1DF-2 by swapping the beta lactam to amide/sulfonamide moieties and introducing the indole moiety to increase flexibilty and potentially adding the interaction with the acidic proton and Glu166 carbonyl. 2) Swapping beta lactam to sulfonamide from AAR-POS-D2A4D1DF-15, potentially sp2 center is needed, so both sp3 linkers and sp2 (as benzofuran) are proposed.