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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	CHEMBL145751
Molecular formula	C15H9ClFN5
IUPAC name	8-chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine
Molecular weight	313.72
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.1
Synonyms	8-Chloro-2-(2-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-ylamine BDBM50120446
Inchi Key	CHXBZQXVJCMOFB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H9ClFN5/c16-8-5-6-11-12(7-8)22-15(13(18)19-11)20-14(21-22)9-3-1-2-4-10(9)17/h1-7H,(H2,18,19)
PubChem CID	10267612
ChEMBL	CHEMBL145751
IUPHAR	N/A
BindingDB	50120446
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	13.0 nM	PMID12383013	BindingDB,ChEMBL

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