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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Adenosine receptor A3
Species	Rattus norvegicus (Rat)
Gene	Adora3
Synonym	A3 receptor A3AR Adenosine receptor A3 ARA3 TGPCR1
Disease	N/A for non-human GPCRs
Length	320
Amino acid sequence	MKANNTTTSALWLQITYITMEAAIGLCAVVGNMLVIWVVKLNRTLRTTTFYFIVSLALADIAVGVLVIPLAIAVSLEVQMHFYACLFMSCVLLVFTHASIMSLLAIAVDRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKVTLELSQNSSTLSCHFRSVVGLDYMVFFSFITWILIPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFNVKIPEIAMCLGILLSHANSMMNPIVYACKIKKFKETYFVILRACRLCQTSDSLDSNLEQTTE
UniProt	P28647
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	CHEMBL3360
IUPHAR	21
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	BDBM50224775 SCHEMBL6382804 Adenosine,N-cyclopentyl-2'-C-methyl- CHEMBL400189 171C068 AKOS024262532 N-Cyclopentyl-2'-C-methyl-adenosine 9-(2'-C-methyl-beta-D-ribofuranosyl)-6-(cyclopentylamino)purine BVOLJUDYJILMMW-QTDMDRALSA-N ST24033987 (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 Adenosine, N-cyclopentyl-2'-C-methyl- ZINC13472701 (2R,3R,4R,5R)-2-(6-(Cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol AK158538 DTXSID90433207 [ 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	208.0 nM	PMID9572897	BindingDB,ChEMBL
Ki	210.0 nM	PMID11881988	ChEMBL

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