DrugDevCovid19

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

Z2228348553

ID MW HBD HBA
DDC65  334.256
RB NOA Rings logP
8113-0.67

Function

Not available

Structures

SMILES:

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1

2D structures:  

3D structures:  

Docking in target protein

Receptor: nsp15

Docking Site: Catalytic pocket

Ligand: Z2228348553

Vina score: -6.8

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

Step 1 - Target prediction for Z2228348553: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Z2228348553 in the SMILES input box.

Step 2 - Blind docking for Z2228348553: 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 Z2228348553 to perform blind docking.