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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	AC1LA9RB
Molecular formula	C11H13ClN4O3
IUPAC name	(2R,3S,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
Molecular weight	284.7
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	1.1
Synonyms	2-Chloro-2'-deoxy-1-deazaadenosine (2R,3S,5R)-5-(7-amino-5-chloro-imidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol 2Cl-1-Deaza-2'-dA (2R,3S,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol 3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-5-chloro-3H-imidazo[4,5-b]pyridine-7-amine CHEMBL3142967 [ Show all ]
Inchi Key	DUCXWDWEQQGOTG-LKEWCRSYSA-N
Inchi ID	InChI=1S/C11H13ClN4O3/c12-8-1-5(13)10-11(15-8)16(4-14-10)9-2-6(18)7(3-17)19-9/h1,4,6-7,9,17-18H,2-3H2,(H2,13,15)/t6-,7+,9+/m0/s1
PubChem CID	464418
ChEMBL	CHEMBL3142967
IUPHAR	N/A
BindingDB	N/A
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	29000.0 nM	PMID7707320	ChEMBL

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