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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	CHEMBL307307
Molecular formula	C14H15N5
IUPAC name	1-methyl-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
Molecular weight	253.309
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.9
Synonyms	HMS1507M21 AKOS000425099 SR-01000101415 BRD-K61693233-001-01-0 MCULE-8123194462 BAS 13125159 SR-01000101415-1 1-Methyl-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline CCG-161848 ChemDiv3_012253 AC1MH66B MolPort-002-026-093 BDBM50015819 ZINC4414789 4-(1-Pyrrolidinyl)-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline [ Show all ]
Inchi Key	ABSOKPVCKVXBCK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H15N5/c1-10-16-17-14-13(18-8-4-5-9-18)15-11-6-2-3-7-12(11)19(10)14/h2-3,6-7H,4-5,8-9H2,1H3
PubChem CID	2996934
ChEMBL	CHEMBL307307
IUPHAR	N/A
BindingDB	50015819
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	49000.0 nM	PMID2374150	BindingDB,ChEMBL

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