Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMVB1PD)

Drug Name

GRL-001 Drug Info

Synonyms

CE-5

Indication

Disease Entry	ICD 11	Status	REF
Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[1]
Severe acute respiratory syndrome (SARS)	1D65	Preclinical	[1]

Therapeutic Class

Antiviral Agents

Cross-matching ID

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Download the Complete Related Drug List

Drug(s) Targeting MERS-CoV 3C-like proteinase (3CLpro)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lopinavir	DMITQS0	Human immunodeficiency virus infection	1C62	Approved	[1]
PMID26868298-compound-N3	DMQFUCD	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[1]
GC376	DMR1CLY	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[2]
PMID28216367-compound-6d	DMPWUFT	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[3]
PMID27240464-compound-3f	DMPC29W	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[4]
GC813	DM7PBJC	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[5]
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Drug(s) Targeting SARS-CoV 3C-like protease (3CLpro)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lopinavir	DMITQS0	Human immunodeficiency virus infection	1C62	Approved	[1]
PMID26868298-compound-N3	DMQFUCD	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[1]
GC376	DMR1CLY	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[2]
PMID28216367-compound-6d	DMPWUFT	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[3]
PMID27240464-compound-3f	DMPC29W	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[4]
Phenylisoserine derivatives SK80	DM16W8F	Severe acute respiratory syndrome (SARS)	1D65	Preclinical	[6]
PMID30784880-compound-6-5	DMVB0P3	Severe acute respiratory syndrome (SARS)	1D65	Preclinical	[7]
PMID28624700-compound-3-31	DMYNCWK	Severe acute respiratory syndrome (SARS)	1D65	Preclinical	[8]
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⏷ Show the Full List of 8 Drug(s)

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MERS-CoV 3C-like proteinase (3CLpro)	TTWOH4Q	R1AB_CVEMC (3248-3553)	Inhibitor	[1]
SARS-CoV 3C-like protease (3CLpro)	TTPZG3C	R1AB_CVHSA (3241-3546)	Inhibitor	[1]

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References

1	Coronaviruses - drug discovery and therapeutic options. Nat Rev Drug Discov. 2016 May;15(5):327-47.
2	Reversal of the Progression of Fatal Coronavirus Infection in Cats by a Broad-Spectrum Coronavirus Protease Inhibitor. PLoS Pathog. 2016 Mar 30;12(3):e1005531.
3	Identification and evaluation of potent Middle East respiratory syndrome coronavirus (MERS-CoV) 3CLPro inhibitors. Antiviral Res. 2017 May;141:101-106.
4	Identification, synthesis and evaluation of SARS-CoV and MERS-CoV 3C-like protease inhibitors. Bioorg Med Chem. 2016 Jul 1;24(13):3035-3042.
5	Structure-guided Design of Potent and Permeable Inhibitors of MERS Coronavirus 3CL Protease That Utilize a Piperidine Moiety as a Novel Design Element Eur J Med Chem. 2018 Apr 25;150:334-346.
6	Synthesis and Evaluation of Phenylisoserine Derivatives for the SARS-CoV 3CL Protease Inhibitor. Bioorg Med Chem Lett. 2017 Jun 15;27(12):2746-2751.
7	Chemical synthesis, crystal structure, versatile evaluation of their biological activities and molecular simulations of novel pyrithiobac derivatives. Eur J Med Chem. 2019 Apr 1;167:472-484.
8	Discovery of Unsymmetrical Aromatic Disulfides as Novel Inhibitors of SARS-CoV Main Protease: Chemical Synthesis, Biological Evaluation, Molecular Docking and 3D-QSAR Study Eur J Med Chem. 2017 Sep 8;137:450-461.