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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	Bos taurus (Bovine)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
UniProt	P28190
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	CHEMBL4975
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL211713
Molecular formula	C22H14N6O4
IUPAC name	N-[2-(4-nitrophenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide
Molecular weight	426.392
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	BDBM50189804 4-benzamido-1,2-dihydro-2-(4-nitrophenyl)-1,2,4-triazolo[4,3-a]quinoxalin-1-one
Inchi Key	DCUXOYAEGKLSEN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H14N6O4/c29-21(14-6-2-1-3-7-14)24-19-20-25-27(15-10-12-16(13-11-15)28(31)32)22(30)26(20)18-9-5-4-8-17(18)23-19/h1-13H,(H,23,24,29)
PubChem CID	11531978
ChEMBL	CHEMBL211713
IUPHAR	N/A
BindingDB	50189804
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	55.0 %	PMID16789747	ChEMBL

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