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GLASS

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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	8-Cyclopentyl-1,3-dipropylxanthine
Molecular formula	C16H24N4O2
IUPAC name	8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight	304.394
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.0
Synonyms	ANW-45129 PDSP1_000448 C-18978 SMR000058434 CTK8B4471 SR-01000003000 DPCPX; PD 116,948 VZ31021 HMS2235C14 KBio1_000177 L000233 NCGC00015177-01 NCGC00015177-09 8-Cyclopentyl-3,7-dihydro-1,3-dipropyl-1H-purin-2,6-dione NCGC00261066-01 OR9885T BCBcMAP01_000212 PDSP2_001192 CCG-221685 Spectrum2_001808 DB12946 SR-01000075202-1 EX-3308 ZINC3977757 HMS3369D05 KBio2_005887 LP00381 1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE [DPCPX] NCGC00015177-04 8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione NCGC00023294-02 AC1L1B8K AKOS015900114 PD-116948 BRD-K01824921-001-10-2 SCHEMBL12648692 Spectrum5_001887 DPCPX Tox21_500381 GNF-PF-2224 IDI1_000177 KBioSS_000751 MLS001076525 1H-Purine-2,6-dione, 8-cyclopentyl-3,7-dihydro-1,3-dipropyl- NCGC00015177-07 NCGC00023294-06 AX8008808 PDSP1_001208 C13709 SPBio_001795 D0K0OT SR-01000003000-2 DTXSID50144706 W-200660 HMS3261M03 KBio2_000751 Lopac-C-101 NCGC00015177-02 8-cyclopentyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione NCGC00015177-10 8-Cyclopentyl-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione NINDS_000177 PD 116948 BDBM21173 SC-91856 CCG-39732 Spectrum3_001073 dipropylcyclopentylxanthine ST2406601 FFBDFADSZUINTG-UHFFFAOYSA-N ZX-AT022179 HMS500I19 KBio3_001906 LS-126534 1,3-Dpcpx NCGC00015177-05 8-cyclopentyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione NCGC00023294-04 AJ-47554 AKOS024458134 PD116948 BSPBio_002686 SCHEMBL382422 CHEMBL183 Spectrum_000271 DPCPX, 1,3-Dipropyl-8-cyclopentylxanthine UNII-9PTP4FOI9E GTPL386 KB-53263 KS-0000186U MolPort-003-666-763 NCGC00015177-08 8-Cyclopentyl-1,3-dipropylxanthine, solid NCGC00023294-07 Opera_ID_160 B6305 PDSP2_000446 CC-23366 SPECTRUM2300063 D0OW4Q SR-01000075202 EU-0100381 X8593 HMS3266O21 KBio2_003319 Lopac0_000381 1,3-dipropyl-8-cyclopentylxanthine NCGC00015177-03 8-Cyclopentyl-1,3-dipropyl-1H-purine-2,6(3H,7H);-dione NCGC00015177-11 9PTP4FOI9E PD-116,948 BRD-K01824921-001-02-9 SCHEMBL1094807 CHEBI:73282 Spectrum4_001228 DivK1c_000177 Tocris-0439 FT-0621530 [DPCPX] I14-10012 KBioGR_001696 MLS000069347 102146-07-6 NCGC00015177-06 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione NCGC00023294-05 AK-88727 [ Show all ]
Inchi Key	FFBDFADSZUINTG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
PubChem CID	1329
ChEMBL	CHEMBL183
IUPHAR	386
BindingDB	21173
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	25.1189 - 42658.0 nM	PMID7929142, PMID16902942, PMID9351976	IUPHAR
Ki	5290.0 nM	PMID7932565	BindingDB,ChEMBL

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