Details of the Drug Combination

General Information of Drug Combination (ID: DCB5F80)

Drug Combination Name

JQ1 (-)-englerin A

Indication

Disease Entry	Status	REF
Ewing sarcoma	Investigative	[1]

Component Drugs

JQ1 DM3XQDH

(-)-englerin A DMPQBWY

Small molecular drug

2D MOL

3D MOL

3D MOL is unavailable

High-throughput Screening Result

Testing Cell Line: TC-71

Zero Interaction Potency (ZIP) Score: 10.819

Bliss Independence Score: 10.684

Loewe Additivity Score: 11.64

LHighest Single Agent (HSA) Score: 13.572

Molecular Interaction Atlas of This Drug Combination

Molecular Interaction Atlas (MIA)

Indication(s) of JQ1

Disease Entry	ICD 11	Status	REF
Coronavirus Disease 2019 (COVID-19)	1D6Y	Investigative	[2]

JQ1 Interacts with 1 DTT Molecule(s)

DTT Name	DTT ID	UniProt ID	Mode of Action	REF
HUMAN bromodomain-containing protein 2 (BRD2)	TTNISW6	BRD2_HUMAN	Inhibitor	[2]
------------------------------------------------------------------------------------

Indication(s) of (-)-englerin A

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[3]

(-)-englerin A Interacts with 2 DTT Molecule(s)

DTT Name	DTT ID	UniProt ID	Mode of Action	REF
Short transient receptor potential channel 5 (TRPC5)	TT32NQ1	TRPC5_HUMAN	Agonist	[4]
Short transient receptor potential channel 4 (TRPC4)	TTX0H5W	TRPC4_HUMAN	Agonist	[4]
------------------------------------------------------------------------------------

References

1	Recurrent recessive mutation in deoxyguanosine kinase causes idiopathic noncirrhotic portal hypertension.Hepatology. 2016 Jun;63(6):1977-86. doi: 10.1002/hep.28499. Epub 2016 Mar 31.
2	Uncovering the Role of BRD2 in COVID-19. 2020-03-19
3	Enantioselective synthesis of (-)-englerins A and B. Angew Chem Int Ed Engl. 2010 May 3;49(20):3517-9.
4	(-)-Englerin is a potent and selective activator of TRPC4 and TRPC5 calcium channels. Angew Chem Int Ed Engl. 2015 Mar 16;54(12):3787-91.