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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	CHEMBL283057
Molecular formula	C14H17ClN6O3
IUPAC name	(1S,2R,3S,4R,5S)-4-[2-chloro-6-(methylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	352.779
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	-0.1
Synonyms	MRS-2346 1N-methyl-4-(2-amino-6-methylamino-9H-9-purinyl)-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide (1S,2R,3S,4R,5S)-4-(2-chloro-6-(methylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide (1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9-yl)-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide BDBM50100416
Inchi Key	GOFNEDUSCHPEBQ-RGUAOFKASA-N
Inchi ID	InChI=1S/C14H17ClN6O3/c1-16-10-6-11(20-13(15)19-10)21(4-18-6)7-5-3-14(5,12(24)17-2)9(23)8(7)22/h4-5,7-9,22-23H,3H2,1-2H3,(H,17,24)(H,16,19,20)/t5-,7-,8+,9+,14+/m1/s1
PubChem CID	10450691
ChEMBL	CHEMBL283057
IUPHAR	N/A
BindingDB	50100416
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	805.0 nM	PMID11392549, PMID18424135	BindingDB,ChEMBL

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