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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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GPCR

Name	Adenosine receptor A1
Species	Rattus norvegicus (Rat)
Gene	Adora1
Synonym	A1 receptor A1-AR A1R adenosine receptor A1 RDC7
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProt	P25099
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	CHEMBL318
IUPHAR	18
DrugBank	N/A

Ligand

Name	BRN 0587969
Molecular formula	C15H20N6O4
IUPAC name	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-cyclopentyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	348.363
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	0.2
Synonyms	5'-Oxo-5'-(cyclopentylamino)-5'-deoxyadenosine CHEMBL2070508 AC1Q5N5C 1-(6-Amino-9H-purin-9-yl)-N-cyclopentyl-1-deoxyribofuranuronamide LS-143752 (2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-n-cyclopentyl-3,4-dihydroxytetrahydrofuran-2-carboxamide(non-preferred name) Adenosine-5'-(N-cyclopentyl)carboxamide 35920-40-2 AC1L4Z6B Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-N-cyclopentyl-1-deoxy- (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-cyclopentyl-3,4-dihydroxyoxolane-2-carboxamide BDBM50389799 [ Show all ]
Inchi Key	ISNMLOJARGEFLK-BQVMBELUSA-N
Inchi ID	InChI=1S/C15H20N6O4/c16-12-8-13(18-5-17-12)21(6-19-8)15-10(23)9(22)11(25-15)14(24)20-7-3-1-2-4-7/h5-7,9-11,15,22-23H,1-4H2,(H,20,24)(H2,16,17,18)/t9-,10+,11-,15+/m0/s1
PubChem CID	215610
ChEMBL	CHEMBL2070508
IUPHAR	N/A
BindingDB	50389799
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	770.0 nM	PMID10212124, PMID22486652	BindingDB,ChEMBL
Ki	4900.0 nM	PMID10212124	ChEMBL

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