Submission Details

DAV-UNK-daa7da46
Molecule(s):
CN(C)c1ccc([C@@H]2Nc3nc(C(F)(F)F)nn3C(N)=C2C#N)c(CN)c1

DAV-UNK-daa7da46-1

CN(C)c1ccc([C@@H]2Nc3nc(C(F)(F)F)nn3C(N)=C2C#N)c(CN)c1

CN(CO)c1ccc([C@@H]2Nc3nc(C(F)(F)F)nn3C(N)=C2C#N)c(CN)c1

DAV-UNK-daa7da46-2

CN(CO)c1ccc([C@@H]2Nc3nc(C(F)(F)F)nn3C(N)=C2C#N)c(CN)c1

Design Rationale:

High throughput hit identification (docking-based) + structure based optimisation

Download PDB File
Discussion:

Contributor: Davide Cazzola - Tue, 19 May 2020 22:43:53 +0000