Submission Details

ROB-UNI-30edb307

Molecule(s):

O=C(Nc1cncc2ccccc12)N(CCc1cccc(F)c1)c1cc(F)cc2c1CCOC2

ROB-UNI-30edb307-1

O=C(Nc1cncc2ccccc12)N(CCc1cccc(F)c1)c1cc(F)cc2c1CCOC2

3-aminopyridine-like Check Availability on Manifold View

Design Rationale:

Good docking score, met Lipinski criteria

Inspired By:

CC(C)(C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1

MAT-POS-f2460aef-1

O=C1CC(Oc2cc(Cl)cc(N(CCC3CCCCC3)C(=O)Nc3cncc4ccccc34)c2)N1

MAT-POS-53907a1c-3

Download PDB File

Discussion:

Contributor: Robbie Mcilwaine, University of Leeds - Thu, 15 Apr 2021 12:45:22 +0000