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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	Gallus gallus (Chicken)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	324
Amino acid sequence	MAQSVTAFQAAYISIEVLIALVSVPGNILVIWAVKMNQALRDATFCFIVSLAVADVAVGALVIPLAIIINIGPQTEFYSCLMMACPVLILTESSILALLAIAVDRYLRVKIPVRYKSVVTPRRAAVAIACCWIVSFLVGLTPMFGWNNLNKVLGTRDLNVSHSEFVIKCQFETVISMEYMVYFNFFVWVLPPLLLMLLIYLEVFNLIRTQLNKKVSSSSNDPQKYYGKELKIAKSLALVLFLFALSWLPLHILNCITLFCPSCKTPHILTYIAIFLTHGNSAMNPIVYAFRIKKFRTAFLQIWNQYFCCKTNKSSSSSTAETVN
UniProt	P49892
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	CHEMBL2114
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	BRN 0591237
Molecular formula	C17H18N6O4
IUPAC name	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-benzyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	370.369
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	0.4
Synonyms	Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-N-benzyl-1-deoxy- B-NECA 1-(6-Amino-9H-purin-9-yl)-N-benzyl-1-deoxyribofuranuronamide DTXSID00206585 AC1MII33 (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-benzyl-3,4-dihydroxyoxolane-2-carboxamide BDBM85777 57872-79-4 LS-143750 Adenosine-5'-(N-benzyl)carboxamide 1-(6-Amino-9H-purin-9-yl)-N-benzyl-1-deoxy-beta-D-ribofuranuronamide [ Show all ]
Inchi Key	VDAITUUOENAMKK-PFHKOEEOSA-N
Inchi ID	InChI=1S/C17H18N6O4/c18-14-10-15(21-7-20-14)23(8-22-10)17-12(25)11(24)13(27-17)16(26)19-6-9-4-2-1-3-5-9/h1-5,7-8,11-13,17,24-25H,6H2,(H,19,26)(H2,18,20,21)/t11-,12+,13-,17+/m0/s1
PubChem CID	3044932
ChEMBL	N/A
IUPHAR	N/A
BindingDB	85777
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	6.83 nM	PMID11191840	BindingDB

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