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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.
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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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