DrugDevCovid19

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

Rhamnetin

ID	MW	HBD	HBA
5281691	316.3	4	5

RB	NOA	Rings	logP
6	7	3	1.87

Function

Not available

Structures

SMILES:

COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1

2D structures:

3D structures:

Docking in target protein

Receptor: Mpro

Docking Site: Catalytic pocket

Ligand: Rhamnetin

Vina score: -7.3

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

Step 1 - Target prediction for Rhamnetin: SwissTargetPrediction

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

Step 2 - Blind docking for Rhamnetin: 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 Rhamnetin to perform blind docking.