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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	Adenosine-5'-(N-propyl)carboxamide
Molecular formula	C13H18N6O4
IUPAC name	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propyloxolane-2-carboxamide
Molecular weight	322.325
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-0.2
Synonyms	PA7 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-propylribofuranuronamide CHEBI:140261 LS-143781 57872-80-7 Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-propyl- (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-propyltetrahydrofuran-2-carboxamide BDBM50389796 5'-Oxo-5'-(propylamino)-5'-deoxyadenosine N-PROPYL CARBOXYAMIDO ADENOSINE AC1MII35 (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-propyloxolane-2-carboxamide BRN 0582860 CHEMBL1235128 [ Show all ]
Inchi Key	UQGKLARJCHZHSS-QRIDJOKKSA-N
Inchi ID	InChI=1S/C13H18N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h4-5,7-9,13,20-21H,2-3H2,1H3,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1
PubChem CID	3044933
ChEMBL	CHEMBL1235128
IUPHAR	N/A
BindingDB	50389796
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	1240.0 nM	PMID10212124, PMID22486652	BindingDB,ChEMBL
Ki	3960.0 nM	PMID10212124	ChEMBL

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