DrugDevCovid19

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

CP-10

ID	MW	HBD	HBA
DDC32	632.2	0	3

RB	NOA	Rings	logP
6	6	5	7.90

Function

Not available

Structures

SMILES:

Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2Br)cc1

2D structures:

3D structures:

Docking in target protein

Receptor: Mpro

Docking Site: Catalytic pocket

Ligand: CP-10

Vina score: -8.3

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

Step 1 - Target prediction for CP-10: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of CP-10 in the SMILES input box.

Step 2 - Blind docking for CP-10: 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 CP-10 to perform blind docking.