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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	Oryctolagus cuniculus (Rabbit)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	328
Amino acid sequence	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPETYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKAVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLREVQRAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRRQLSKKASASSGDPHKYYGKELKIAKSLALILFLFALSWLPLHILNCVTLFCPSCQKPSILVYTAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCRPAPAGDGDEDLPEEKPND
UniProt	P34970
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	CHEMBL3947
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	N6-2-(4-Aminophenyl)ethyladenosine
Molecular formula	C18H22N6O4
IUPAC name	2-[6-[2-(4-aminophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	386.412
Hydrogen bond acceptor	9
Hydrogen bond donor	5
XlogP	0.9
Synonyms	ChEMBL_198532 Lopac0_000118 NCGC00093612-01 [125I]APNEA A-202 APNEA EU-0100118 NCGC00260803-01 2-[6-[2-(4-aminophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol HMS3260G18 NCGC00015017-04 SR-01000075222-1 D0A8EK LP00118 NCGC00093612-02 [3H]N6-2-(4-Aminophenyl)ethyladenosine AC1L1I2P BDBM50037785 GTPL417 NCGC00015017-02 SCHEMBL16585344 2-{6-[2-(4-Amino-phenyl)-ethylamino]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol CHEMBL326958 L000691 NCGC00015017-05 Tox21_500118 D0U6NZ n-[2-(4-aminophenyl)ethyl]-9-pentofuranosyl-9h-purin-6-amine NCGC00093612-03 2-(6-{[2-(4-aminophenyl)ethyl]amino}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol AC1Q4Y3F CCG-204213 GTPL462 NCGC00015017-03 SR-01000075222 [ Show all ]
Inchi Key	XTPOZVLRZZIEBW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H22N6O4/c19-11-3-1-10(2-4-11)5-6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,5-7,19H2,(H,20,21,22)
PubChem CID	4397
ChEMBL	CHEMBL326958
IUPHAR	462, 417
BindingDB	50037785
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	6.0 nM	PMID8996189	PDSP,BindingDB

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