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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	Bos taurus (Bovine)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
UniProt	P28190
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	CHEMBL4975
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL8966
Molecular formula	C12H10ClN5O2
IUPAC name	ethyl 4-amino-8-chloro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
Molecular weight	291.695
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.9
Synonyms	ethyl 8-chloro-4-imino-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate BDBM50178629
Inchi Key	BXMZKPVQYIIUDG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H10ClN5O2/c1-2-20-12(19)10-16-11-9(14)15-7-4-3-6(13)5-8(7)18(11)17-10/h3-5H,2H2,1H3,(H2,14,15)
PubChem CID	44405057
ChEMBL	CHEMBL8966
IUPHAR	N/A
BindingDB	50178629
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	5.0 nM	PMID16335918	BindingDB,ChEMBL

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