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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	SMR000104521
Molecular formula	C12H16N6O4
IUPAC name	5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	308.298
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-0.7
Synonyms	BAS 00485788 ChemDiv2_002128 MLS000108567 ST092443 78647-50-4 BRD-A35338386-001-04-6 HMS2187P21 NCGC00015405-02 [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-N-ethylcarboxamide AC1MF9Y7 L000437 SCHEMBL19928417 5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name) BCP08034 CTK8F6931 MLS001077284 STK762128 CAS_35920-39-9 HMS3268O07 NSC_448222 AKOS000656214 CHEMBL277076 MCULE-6160962792 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide BDBM86761 HMS1375A16 MolPort-001-935-391 ZINC00053379 A2191/0092134 CHEBI:91647 HMS3371J21 REGID_for_CID_2868392 [ Show all ]
Inchi Key	JADDQZYHOWSFJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)
PubChem CID	2868392
ChEMBL	CHEMBL277076
IUPHAR	N/A
BindingDB	86761
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	2.0 nM	PMID8996189	PDSP

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