DrugDevCovid19

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

Zabofloxacin

ID	MW	HBD	HBA
10388396	401.4	2	4

RB	NOA	Rings	logP
5	9	5	-0.59

Function

Not available

Structures

SMILES:

CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC12CNC2

2D structures:

3D structures:

Docking in target protein

Receptor: PL-PRO

Docking Site: S3/S4 pockets

Ligand: Zabofloxacin

Vina score: -7.2

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

Step 1 - Target prediction for Zabofloxacin: SwissTargetPrediction

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

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