DrugDevCovid19

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

Ridinilazole

ID MW HBD HBA
16659285  388.424
RB NOA Rings logP
3663.86

Function

DrugBank ID:

DB15308


Description:

Ridinilazole is under investigation in clinical trial NCT02092935 (A Study of SMT19969 Compared With Vancomycin for the Treatment of Clostridium Difficile-Associated Diarrhoea (CDAD)). [DrugBank]

Targets:

Not Available [DrugBank]

Pharmacodynamics:

Not Available [DrugBank]

Structures

SMILES:

c1cc(-c2nc3ccc(-c4ccc5nc(-c6ccncc6)[nH]c5c4)cc3[nH]2)ccn1

2D structures:  

3D structures:  

Docking in target protein

Receptor: nsp16

Docking Site: PPI surface (nsp16:nsp10)

Ligand: Ridinilazole

Vina score: -7.5

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

Step 1 - Target prediction for Ridinilazole: SwissTargetPrediction

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

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