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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	7-Benzyltheophylline
Molecular formula	C14H14N4O2
IUPAC name	7-benzyl-1,3-dimethylpurine-2,6-dione
Molecular weight	270.292
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.1
Synonyms	cid_95028 MCULE-5781295268 NSC14130 SR-01000313218 1,3-dimethyl-7-benzyl-1,3,7-trihydropurine-2,6-dione 7-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione # AC1Q3ZES BAS 01547064 F3259-0258 MolPort-001-819-980 Oprea1_328533 STK869067 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)- (9CI) 7-benzyl-1,3-dimethylpurine-2,6-dione HMS3371J01 NSC 14130 SCHEMBL1944405 WXWQVDBZDNPNLZ-UHFFFAOYSA-N 7-benzyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione CTK4D7706 MLS000526521 Opera_ID_1805 SR-01000313218-1 1807-85-8 7-Benzyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione AC1Q6LEF BDBM50014251 HMS1775D20 N-Benzyl xanthine PDSP1_001151 Theophylline, 7-benzyl- 7-Benzyl-1,3-dimethylxanthine CHEMBL24759 LS-149420 NSC-14130 SMR000116995 ZINC328351 1,3-Dimethyl-7-(phenylmethyl)purine-2,6-dione 7-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione AC1L3TF6 DTXSID20170996 MLS004491694 Oprea1_094723 ST45000489 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)- 7-Benzyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione( 7-benzyltheophylline) AKOS001200556 BRN 0305370 HMS2233N04 NCGC00245303-01 PDSP2_001135 VU0172344-3 7-benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione 7-benzyltheophyllin [ Show all ]
Inchi Key	WXWQVDBZDNPNLZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14N4O2/c1-16-12-11(13(19)17(2)14(16)20)18(9-15-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
PubChem CID	95028
ChEMBL	CHEMBL24759
IUPHAR	N/A
BindingDB	50014251
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	29.7 %	PMID7932565	ChEMBL

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