DrugDevCovid19

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

GHRP-2

ID MW HBD HBA
44208944  818.096
RB NOA Rings logP
261552.40

Function

Not available

Structures

SMILES:

CC(N)C(=O)NC(=O)C(CCCCN)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(C)NC(=O)C(N)Cc1ccc2ccccc2c1

2D structures:  

3D structures:  

Docking in target protein

Receptor: Mpro

Docking Site: Catalytic pocket

Ligand: GHRP-2

Vina score: -8

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

Step 1 - Target prediction for GHRP-2: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of GHRP-2 in the SMILES input box.

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