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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL557109
Molecular formula	C16H19N3O3S
IUPAC name	N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Molecular weight	333.406
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.1
Synonyms	BDBM50296437 Z29740118 MCULE-3926600831 AC1M2CFA N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide ZINC2651404 MolPort-004-052-300 AKOS034108068 N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide 784168-45-2 N-(5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide [ Show all ]
Inchi Key	GTHODMWAZRBYGQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H19N3O3S/c1-3-10(4-2)15-18-19-16(23-15)17-14(20)11-5-6-12-13(9-11)22-8-7-21-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19,20)
PubChem CID	2114670
ChEMBL	CHEMBL557109
IUPHAR	N/A
BindingDB	50296437
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
104863	Prostacyclin receptor	P43119	PTGIR	Homo sapiens (Human)	386
104861	Prostaglandin D2 receptor	Q13258	PTGDR	Homo sapiens (Human)	359
104859	Prostaglandin E2 receptor EP1 subtype	P34995	PTGER1	Homo sapiens (Human)	402
104858	Prostaglandin E2 receptor EP3 subtype	P43115	PTGER3	Homo sapiens (Human)	390
104864	Prostaglandin E2 receptor EP4 subtype	P35408	PTGER4	Homo sapiens (Human)	488
104862	Prostaglandin F2-alpha receptor	P43088	PTGFR	Homo sapiens (Human)	359
104860	Thromboxane A2 receptor	P21731	TBXA2R	Homo sapiens (Human)	343

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