Submission Details

SAD-SAT-24589cd1
Molecule(s):
N#Cc1cccc(CC(=O)Nc2cnccc2[N+](=O)[O-])c1

SAD-SAT-24589cd1-1

N#Cc1cccc(CC(=O)Nc2cnccc2[N+](=O)[O-])c1

3-aminopyridine-like Check Availability on Manifold View
O=C(Cc1cncnc1)Nc1cccc(N2CCC2)c1

SAD-SAT-24589cd1-2

O=C(Cc1cncnc1)Nc1cccc(N2CCC2)c1

3-aminopyridine-like Check Availability on Manifold View
CS(=O)(=O)c1ccncc1NC(=O)Cc1cccc(C#N)c1

SAD-SAT-24589cd1-3

CS(=O)(=O)c1ccncc1NC(=O)Cc1cccc(C#N)c1

3-aminopyridine-like Check Availability on Manifold View
O=C(Cc1cncnc1)Nc1cccnc1

SAD-SAT-24589cd1-4

O=C(Cc1cncnc1)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
N#Cc1cccc(CC(=O)Nc2cnccc2C#N)c1

SAD-SAT-24589cd1-5

N#Cc1cccc(CC(=O)Nc2cnccc2C#N)c1

3-aminopyridine-like Check Availability on Manifold View
N#Cc1cccc(CC(=O)Nc2cnccc2CN2CCOCC2)c1

SAD-SAT-24589cd1-6

N#Cc1cccc(CC(=O)Nc2cnccc2CN2CCOCC2)c1

3-aminopyridine-like Check Availability on Manifold View
O=C(Cc1cncnc1)N1CCc2ccccc21

SAD-SAT-24589cd1-7

O=C(Cc1cncnc1)N1CCc2ccccc21

3-aminopyridine-like Check Availability on Manifold View
N#Cc1cccc(CC(=O)Nc2cnccc2CN)c1

SAD-SAT-24589cd1-8

N#Cc1cccc(CC(=O)Nc2cnccc2CN)c1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)N1CCC(c2ccncc2NC(=O)Cc2cccc(C#N)c2)CC1

SAD-SAT-24589cd1-9

CC(=O)N1CCC(c2ccncc2NC(=O)Cc2cccc(C#N)c2)CC1

3-aminopyridine-like Check Availability on Manifold View
N#Cc1cccc(CC(=O)Nc2cnccc2C2CCCNC2)c1

SAD-SAT-24589cd1-10

N#Cc1cccc(CC(=O)Nc2cnccc2C2CCCNC2)c1

3-aminopyridine-like Check Availability on Manifold View
Design Rationale:

SeeSAR 9.2 Inspirator, fragment growing in binding site, ReCore, sorted by affinity, Mpro-x2562_BAR-COM-4e090d3a-39 (not on the list); x0425 is a placeholder (similar ring)

Inspired By:
Discussion:

Contributor: Sadit Joarder, SATEC - Sat, 30 May 2020 18:57:09 +0000