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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	CHEMBL421420
Molecular formula	C15H10N6O3
IUPAC name	4-amino-6-nitro-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
Molecular weight	322.284
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.5
Synonyms	4-Amino-6-nitro-2-phenyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one BDBM50149358 4-amino-6-nitro-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one
Inchi Key	BZBZJCKGVWMYNE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10N6O3/c16-13-14-18-20(9-5-2-1-3-6-9)15(22)19(14)10-7-4-8-11(21(23)24)12(10)17-13/h1-8H,(H2,16,17)
PubChem CID	11723628
ChEMBL	CHEMBL421420
IUPHAR	N/A
BindingDB	50149358
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	82.0 nM	PMID15214785	BindingDB,ChEMBL

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