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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.
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	Cavia porcellus (Guinea pig)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD
UniProt	P47745
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	CHEMBL2304404
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL72669
Molecular formula	C15H13ClF3N5
IUPAC name	8-chloro-N-cyclopentyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Molecular weight	355.749
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.7
Synonyms	(8-Chloro-1-trifluoromethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-cyclopentyl-amine BDBM50004584 4-Cyclopentylamino-1-trifluoromethyl-8-chloro[1,2,4]triazolo[4,3-a]quinoxaline
Inchi Key	BZULZOAWPMZGRT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H13ClF3N5/c16-8-5-6-10-11(7-8)24-13(22-23-14(24)15(17,18)19)12(21-10)20-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,20,21)
PubChem CID	9998343
ChEMBL	CHEMBL72669
IUPHAR	N/A
BindingDB	50004584
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	36.0 nM	PMID1501234	BindingDB,ChEMBL

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