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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	205171-06-8
Molecular formula	C16H23N5O4
IUPAC name	(2R,3R,4R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Molecular weight	349.391
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	0.3
Synonyms	(2R,3R,4R,5R)-2-(6-(Cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol AK158538 DTXSID90433207 SCHEMBL6382804 BDBM50224775 Adenosine,N-cyclopentyl-2'-C-methyl- CHEMBL400189 171C068 AKOS024262532 N-Cyclopentyl-2'-C-methyl-adenosine ST24033987 9-(2'-C-methyl-beta-D-ribofuranosyl)-6-(cyclopentylamino)purine BVOLJUDYJILMMW-QTDMDRALSA-N (2R,3R,4R,5R)-2-(6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol AJ-63871 CTK4E4415 AX8292295 N-Cyclopentyl-2'-methyladenosine ZINC13472701 Adenosine, N-cyclopentyl-2'-C-methyl- [ Show all ]
Inchi Key	BVOLJUDYJILMMW-QTDMDRALSA-N
Inchi ID	InChI=1S/C16H23N5O4/c1-16(24)12(23)10(6-22)25-15(16)21-8-19-11-13(17-7-18-14(11)21)20-9-4-2-3-5-9/h7-10,12,15,22-24H,2-6H2,1H3,(H,17,18,20)/t10-,12-,15-,16-/m1/s1
PubChem CID	9946338
ChEMBL	CHEMBL400189
IUPHAR	N/A
BindingDB	50224775
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	4.4 nM	PMID17933541	BindingDB,ChEMBL
Ki	9.5 nM	PMID9572897	BindingDB,ChEMBL
Ki	10.0 nM	PMID15743197	BindingDB,ChEMBL
Ki	7230.0 nM	PMID17933541	BindingDB,ChEMBL

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