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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Adenosine receptor A1
Species	Rattus norvegicus (Rat)
Gene	Adora1
Synonym	A1 receptor A1-AR A1R adenosine receptor A1 RDC7
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProt	P25099
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL318
IUPHAR	18
DrugBank	N/A

Ligand

Name	2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
Molecular formula	C9H8N6OS
IUPAC name	2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
Molecular weight	248.264
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.1
Synonyms	2-(2-Furyl)-5-(methylthio)[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine 7-amino-2-(2-furyl)-5-methylthio-[1,2,4]triazolo[1,5-a][1,3,5]triazine APSHQFCMMKRIFB-UHFFFAOYSA-N CHEMBL1090123 7-amino-2-(2-furyl)-5-methylthio[1,2,4]triazolo[1,5-a][1,3,5]triazine 139181-27-4 BDBM50315604 SCHEMBL9264847 AKOS027461136 [ Show all ]
Inchi Key	APSHQFCMMKRIFB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H8N6OS/c1-17-9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-16-5/h2-4H,1H3,(H2,10,11,12,13,14)
PubChem CID	11776764
ChEMBL	CHEMBL1090123
IUPHAR	N/A
BindingDB	50315604
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1730.0 nM	PMID20304654	BindingDB,ChEMBL

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