DrugDevCovid19

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

CM07

ID MW HBD HBA
DDC101  380.341
RB NOA Rings logP
9532.73

Function

Not available

Structures

SMILES:

Nc1cccc(/C=C/C(=O)NC2CC(N)CCC2SCCCC2CCNCC2)c1

2D structures:  

3D structures:  

Docking in target protein

Receptor: Mpro

Docking Site: Catalytic pocket

Ligand: CM07

Vina score: -7.3

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

Step 1 - Target prediction for CM07: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of CM07 in the SMILES input box.

Step 2 - Blind docking for CM07: 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 CM07 to perform blind docking.