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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.
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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	2-(3-Cyclopentyl-1-propynyl)adenosine
Molecular formula	C18H23N5O4
IUPAC name	(2R,3R,4S,5R)-2-[6-amino-2-(3-cyclopentylprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	373.413
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.8
Synonyms	2-(3-Cyclopentyl-1-propyn-1-yl)adenosine AKOS030575571 AC1L30TS CHEMBL2113499 (2R,3R,4S,5R)-2-[6-amino-2-(3-cyclopentylprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Adenosine, 2-(3-cyclopentyl-1-propynyl)- DTXSID90161694 BDBM50453213 ACTXLGWFGGOOKX-XKLVTHTNSA-N Cpp-adenosine 141345-10-0 Adenosine,2-(3-cyclopentyl-1-propynyl)- (9CI) SCHEMBL5734296 adenosine, 2-(3-cyclopentyl-1-propyn-1-yl)- CTK4C2591 [ Show all ]
Inchi Key	ACTXLGWFGGOOKX-XKLVTHTNSA-N
Inchi ID	InChI=1S/C18H23N5O4/c19-16-13-17(22-12(21-16)7-3-6-10-4-1-2-5-10)23(9-20-13)18-15(26)14(25)11(8-24)27-18/h9-11,14-15,18,24-26H,1-2,4-6,8H2,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1
PubChem CID	132348
ChEMBL	CHEMBL2113499
IUPHAR	N/A
BindingDB	50453213
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	162.0 nM	PMID11170643, PMID1613750	BindingDB,ChEMBL

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