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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	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	CHEMBL223321
Molecular formula	C23H27ClF3N11O
IUPAC name	5-N-[[(7R,9aR)-2-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
Molecular weight	565.99
Hydrogen bond acceptor	13
Hydrogen bond donor	2
XlogP	2.9
Synonyms	(7RS,9aSR)-2-furan-2-yl-N5-(2-pyrimidin-2-yloctahydropyrido[1,2-a]pyrazin-7-ylmethyl)[1,2,4]triazolo[1,5-a]-[1,3,5]triazine-5,7-diamine BDBM50156639
Inchi Key	ANYPNSMNRSQVDF-ZIAGYGMSSA-N
Inchi ID	InChI=1S/C23H27ClF3N11O/c1-35-18(24)15(17(33-35)23(25,26)27)12-36-6-7-37-10-13(4-5-14(37)11-36)9-29-21-31-20(28)38-22(32-21)30-19(34-38)16-3-2-8-39-16/h2-3,8,13-14H,4-7,9-12H2,1H3,(H3,28,29,30,31,32,34)/t13-,14-/m1/s1
PubChem CID	44421281
ChEMBL	CHEMBL223321
IUPHAR	N/A
BindingDB	50156639
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<1000.0 nM	PMID15566292	BindingDB,ChEMBL

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