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GLASS

You can:

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	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	CHEMBL1790736
Molecular formula	C16H22ClN5O3
IUPAC name	(2R,3S,5R)-5-[2-chloro-6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
Molecular weight	367.834
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	3.3
Synonyms	Adenosine, 2-chloro-N-cyclohexyl-2'-deoxy- 2-Chloro-N-cyclohexyl-2'-deoxyadenosine BDBM50369637 SCHEMBL7654753
Inchi Key	AGLVJWCZPBFXMM-QJPTWQEYSA-N
Inchi ID	InChI=1S/C16H22ClN5O3/c17-16-20-14(19-9-4-2-1-3-5-9)13-15(21-16)22(8-18-13)12-6-10(24)11(7-23)25-12/h8-12,23-24H,1-7H2,(H,19,20,21)/t10-,11+,12+/m0/s1
PubChem CID	56664850
ChEMBL	CHEMBL1790736
IUPHAR	N/A
BindingDB	50369637
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
KH	61.7 nM	PMID10649980	ChEMBL
Ki	497.0 nM	PMID10649980	BindingDB,ChEMBL
Ki	2560.0 nM	PMID10649980	BindingDB,ChEMBL
KL	1590.0 nM	PMID10649980	ChEMBL
RIA	0.0 -	PMID10649980	ChEMBL

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