Submission Details

FRA-FAC-9ed5a63a
Molecule(s):
O=C(CC1CCCCC1)Nc1cccnc1

FRA-FAC-9ed5a63a-1
Duplicate of:
ALE-HEI-f28a35b5-9

O=C(CC1CCCCC1)Nc1cccnc1

Duplicate 3-aminopyridine-like Made Check Availability on Manifold View
O=C(CC1CCC(F)CC1)Nc1cccnc1

FRA-FAC-9ed5a63a-2

O=C(CC1CCC(F)CC1)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cccnc1)NC1CCC(F)CC1

FRA-FAC-9ed5a63a-3

O=C(Nc1cccnc1)NC1CCC(F)CC1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cccnc1)N[C@@H]1CC[C@H]2O[C@@H]2C1

FRA-FAC-9ed5a63a-4

O=C(Nc1cccnc1)N[C@@H]1CC[C@H]2O[C@@H]2C1

3-aminopyridine-like Check Availability on Manifold View
Nc1cncc(NC(=O)N[C@@H]2CC[C@H]3O[C@@H]3C2)c1

FRA-FAC-9ed5a63a-5

Nc1cncc(NC(=O)N[C@@H]2CC[C@H]3O[C@@H]3C2)c1

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cncc(CO)c1)N[C@@H]1CC[C@H]2O[C@@H]2C1

FRA-FAC-9ed5a63a-6

O=C(Nc1cncc(CO)c1)N[C@@H]1CC[C@H]2O[C@@H]2C1

3-aminopyridine-like Check Availability on Manifold View
[N+]Cc1cncc(CC(=O)N[C@@H]2CC[C@H]3O[C@@H]3C2)c1

FRA-FAC-9ed5a63a-7

[N+]Cc1cncc(CC(=O)N[C@@H]2CC[C@H]3O[C@@H]3C2)c1

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

Non-covalent fragments affinity was estimated through CSM-lig (http://biosig.unimelb.edu.au/csm_lig/). Best scored fragments were used as templates in SeeSAR software and optimized using the Molecule Editor feature, taking into account possible interactions with the receptor pocket.

Inspired By:
Discussion:

Contributor: Franco Vairoletti, Facultad de Quimica UdelaR - Wed, 01 Apr 2020 01:36:36 +0000