DrugDevCovid19

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

Z1302426228

ID MW HBD HBA
DDC66  331.123
RB NOA Rings logP
7621.40

Function

Not available

Structures

SMILES:

O=c1[nH]c(=O)n(C[C@@H](O)COCc2ccccc2Cl)cc1Cl

2D structures:  

3D structures:  

Docking in target protein

Receptor: nsp15

Docking Site: Catalytic pocket

Ligand: Z1302426228

Vina score: -6.5

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

Step 1 - Target prediction for Z1302426228: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Z1302426228 in the SMILES input box.

Step 2 - Blind docking for Z1302426228: 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 Z1302426228 to perform blind docking.