DrugDevCovid19

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

Z2760938911

ID MW HBD HBA
DDC69  360.236
RB NOA Rings logP
9950.14

Function

Not available

Structures

SMILES:

O=C(NC1CC1)[C@@H]1CCCN1c1ncnc2c1ncn2C1CC(CO)(CO)C1

2D structures:  

3D structures:  

Docking in target protein

Receptor: nsp15

Docking Site: Catalytic pocket

Ligand: Z2760938911

Vina score: -6.7

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

Step 1 - Target prediction for Z2760938911: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Z2760938911 in the SMILES input box.

Step 2 - Blind docking for Z2760938911: 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 Z2760938911 to perform blind docking.