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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	2-Methoxyidazoxan
Molecular formula	C12H14N2O3
IUPAC name	2-(3-methoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
Molecular weight	234.255
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	0.5
Synonyms	BDBM50019492 GTPL526 LS-78462 RX 821001 (-)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazole 2-(2-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole 2-[2-(2-methoxy-1,4-benzodioxanyl)]imidazoline CHEBI:73287 KBio2_004867 NCGC00015903-04 RX821002 102575-24-6 2-(2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole D08KLH L001007 PDSP2_000792 [3H]2-methoxyidazoxan 2-(2,3-Dihydro-2-methoxy-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole alpha-methoxyidazoxan BRD-A65597028-003-02-4 GTPL528 MCULE-7578829705 RX 821002 2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazole 476M359 KBio2_007435 NCGC00025112-02 SCHEMBL2494824 1H-Imidazole, 2-(2,3-dihydro-2-methoxy-1,4-benzodioxin-2-yl)-4,5-dihydro- 2-(3-methoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole D0ZB3X Lopac0_001053 PubChem2676 [3H]RX821002 (+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazole 2-(2-methoxy-1,4-benzodioxan-2-yl)-2-imidazoline 2-[2-(2-Methoxy-1,4-benzodioanyl)]-imidazoline BCP14552 CCG-205130 KBio2_002299 NCGC00015903-03 RX-821002 1,4-Benzodioxin, 1H-imidazole deriv. 2-(2-methoxy-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazole CHEMBL10332 KBioSS_002301 PDSP1_000805 Spectrum_001808 1H-Imidazole, 2-(2,3-dihydro-2-methoxy-1,4-benzodioxin-2-yl)-4,5-dihydro- (9CI) 2-ethoxy-idazoxan AC1L33BW [ Show all ]
Inchi Key	HQGWKNGAKBPTBX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
PubChem CID	108094
ChEMBL	CHEMBL10332
IUPHAR	526, 528
BindingDB	50019492
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Antagonist potency	>0.1 -	PMID2876101	ChEMBL
Antagonist potency	4.0 -	PMID2876101	ChEMBL
Antagonist potency	16.0 -	PMID2876101	ChEMBL

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