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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	Xanthine amine congener
Molecular formula	C21H28N6O4
IUPAC name	N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
Molecular weight	428.493
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	2.7
Synonyms	Acetamide, N-(2-aminoethyl)-2-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy)- DTXSID10242595 LP01279 N-(2-Aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxy]acetamide # Papaxac X-103 ZINC9210767 8-[4-[[[[(2-Aminoethyl)amino] carbonyl]methyl]oxy]phenyl]-1,3-dipropylxanthine GTPL404 N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC) NCGC00016097-02 PDSP2_000317 AC1L1KXN D09HUM Lopac-X-103 N-(2-Aminoethyl)-2-[4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]-acetamide hydrochloride NCGC00094514-01 SR-01000075243 Xanthine amine congener, >=96% (HPLC) 8-(4-(((2-(4-Aminophenylacetylamino)ethyl)carbonyl)methyl)oxy)phenyl-1,3-dipropylxanthine BDBM50207816 EU-0101279 N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide PDSP1_000319 XAC [3H]XAC 8-[4-[[[[(2-Aminoethyl)amino]carbonyl]methyl]oxy]phenyl]-1,3-dipropylxanthine CHEMBL273094 GTPL432 N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide NCGC00016097-03 PDSP2_000443 Xanthine amine congener pound>>XAC AC1Q5PIP D0H9BP Lopac0_001279 n-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1h-purin-8-yl)phenoxy]acetamide NCGC00094514-02 SR-01000075243-1 Xanthine, 8-[4-[(2-aminoethyl)aminocarbonyl]methoxyphenyl]-1,3-dipropyl 8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine CCG-205352 FIQGIOAELHTLHM-UHFFFAOYSA-N N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC) NCGC00016097-01 PDSP1_000445 XAC(8-[4-[[[[(2-Aminoethyl)amino] carbonyl]methyl]oxy]phenyl]-1,3-dipropylxanthine [3H]xanthine amine congener 3,7-diethyl-9-(4-(N-2-aminoethylcarboxamidomethoxy))phenylxanthine 96865-92-8 CTK8G3788 L000963 N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide NCGC00016097-04 SCHEMBL1000686 Xanthine amine congener xac [ Show all ]
Inchi Key	FIQGIOAELHTLHM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
PubChem CID	5697
ChEMBL	CHEMBL273094
IUPHAR	404, 432
BindingDB	50207816
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	19.9526 nM	PMID7929142	IUPHAR
Ki	418.0 nM	PMID10956189	BindingDB,ChEMBL
Ki	29000.0 nM	PMID7932565	BindingDB,ChEMBL

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