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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL83855
Molecular formula	C12H9ClN4O3
IUPAC name	ethyl 8-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
Molecular weight	292.679
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.1
Synonyms	ethyl 8-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate 8-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester 4-Oxo-8-chloro-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester SCHEMBL406481 BDBM50078524 BYSUTBXNUZIDGV-UHFFFAOYSA-N [ Show all ]
Inchi Key	BYSUTBXNUZIDGV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H9ClN4O3/c1-2-20-12(19)9-15-10-11(18)14-7-4-3-6(13)5-8(7)17(10)16-9/h3-5H,2H2,1H3,(H,14,18)
PubChem CID	44461607
ChEMBL	CHEMBL83855
IUPHAR	N/A
BindingDB	50078524
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	20.0 %	PMID16335918	ChEMBL

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