DrugDevCovid19

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Kaempferol-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside

ID	MW	HBD	HBA
DDC28	273.2	3	4

RB	NOA	Rings	logP
4	5	3	2.41

Function

Not available

Structures

SMILES:

Cc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O

2D structures:

3D structures:

Docking in target protein

Receptor: Mpro

Docking Site: Catalytic pocket

Ligand: Kaempferol-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside

Vina score: -8.2

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

Step 1 - Target prediction for Kaempferol-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Kaempferol-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside in the SMILES input box.

Step 2 - Blind docking for Kaempferol-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside: 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 Kaempferol-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside to perform blind docking.