DrugDevCovid19

Tracking the relevant researches of CADD drug development against COVID-19

GNF-5

ID	MW	HBD	HBA
44129660	418.4	3	4

RB	NOA	Rings	logP
9	7	3	3.51

Function

Not available

Structures

SMILES:

O=C(NCCO)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1

2D structures:

3D structures:

Docking in target protein

Receptor: ACE2

Docking Site: PPI surface (ACE2:S-glycoprotein)

Ligand: GNF-5

Vina score: -6.9

Off-target analysis based on ligand similarity (Homo sapiens)

Step 1 - Target prediction for GNF-5: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of GNF-5 in the SMILES input box.

Step 2 - Blind docking for GNF-5: CB-Dock

Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of GNF-5 to perform blind docking.