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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	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	CHEMBL276545
Molecular formula	C16H11ClN4O2
IUPAC name	2-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
Molecular weight	326.74
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.8
Synonyms	BDBM50086158 2-(4-Chlorophenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinoxaline-1,4(2H,5H)-dione 2-(4-Chloro-phenyl)-5-methyl-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
Inchi Key	CLKHKOVNJLVWFV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H11ClN4O2/c1-19-12-4-2-3-5-13(12)20-14(15(19)22)18-21(16(20)23)11-8-6-10(17)7-9-11/h2-9H,1H3
PubChem CID	10830023
ChEMBL	CHEMBL276545
IUPHAR	N/A
BindingDB	50086158
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	29.0 %	PMID10737748	ChEMBL

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