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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	N6-Cyclohexyladenosine
Molecular formula	C16H23N5O4
IUPAC name	(2R,3R,4S,5R)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	349.391
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.4
Synonyms	4616AB C16H23N5O4 HMS3261C03 N-6-cyclohexyladenosine NCGC00093771-03 PDSP2_001009 Adenosine, N-cyclohexyl- CHEMBL45891 Lopac0_000331 PDSP1_000670 SR-01000075797-1 (2R,3R,4S,5R)-2-(6-(Cyclohexylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol BDBM50009552 EU-0100331 MolPort-027-835-536 NCGC00093771-01 PDSP2_000660 Tox21_500331 36396-99-3 CCG-204426 HY-18939 n-cyclohexyladenosine NCGC00093771-04 SCHEMBL145856 AJ-48997 CS-5050 LP00331 N6-Cyclohexylado (CHA) PDSP1_001023 ST24026156 (2R,3R,4S,5R)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol C 9901 GTPL423 N(6)-Cyclohexyladenosine NCGC00093771-02 PDSP2_001007 ZINC4217017 AC-27401 KB-206469 N6 -cyclohexyladenosine NCGC00261016-01 SR-01000075797 AKOS016009588 D02JCM MFCD00036808 n6-cyclohexyl[3h]adenosine PDSP1_001025 SZBULDQSDUXAPJ-XNIJJKJLSA-N 2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol [ Show all ]
Inchi Key	SZBULDQSDUXAPJ-XNIJJKJLSA-N
Inchi ID	InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
PubChem CID	9841284
ChEMBL	CHEMBL45891
IUPHAR	423
BindingDB	50009552
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	25.0 nM	PMID10956189	BindingDB,ChEMBL
Ki	176.0 nM	PMID8022403	IUPHAR

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