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

Name	Adenosine receptor A1
Species	Cavia porcellus (Guinea pig)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD
UniProt	P47745
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	CHEMBL2304404
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	3-Methylxanthine
Molecular formula	C6H6N4O2
IUPAC name	3-methyl-7H-purine-2,6-dione
Molecular weight	166.14
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	-0.7
Synonyms	3-methyl-3,7(9)-dihydro-purine-2,6-dione MolPort-001-783-700 3-methyl-3,9-dihydro-2H,6H-purine-2,6-dione Oprea1_233226 3-methyl-xanthine SPBio_000423 AC1L2EIS ST4105010 AKOS006221835 WS6X982OEC BR-72940 CHEMBL619 EINECS 214-058-1 076M228 KB-67712 3 MX KS-00000DPJ LS21223 3-Methyl-3,7-dihydro-1H-purine-2,6-dione (3-Methylxanthine) NCGC00095330-02 3-Methyl-3H-purine-2,6-diol S-2007 3-Methylxanthine, 98% Spectrum2_000502 ACMC-1BT43 Theophylline Impurity B ANW-15831 Z1741977122 CCG-39565 CTK3J2858 GMSNIKWWOQHZGF-UHFFFAOYSA-N 1H-Purine-2, 3,7-dihydro-3-methyl- KBio2_004990 3-METHYL XANTHINE MFCD00005580 3-Methyl-3,9-dihydro-1H-purine-2,6-dione NSC-515466 3-methyl-9H-purine-2,6-dione SCHEMBL237146 A801730 Spectrum5_001544 AKOS002272340 W-108741 BDBM50001515 ZINC4685854 CHEBI:62208 DS-1280 J-505016 2,6-Dihydroxy-3-methylpurine KBioGR_002122 3-methyl-1H-purine-2,6(3H,9H)-dione 3-methyl-3,7-dihydro-1h-purin-2,6-dion N(1)-demethyltheophylline 3-Methyl-3,9-dihydro-purine-2,6-dione Oprea1_288071 SpecPlus_000737 AC1Q3ZJ4 STK776266 AM20080030 X8852 BSPBio_003403 CJ-12209 FT-0616197 1-METHYLXANTHINE (1-MX) KBio1_001777 3,7-Dihydro-3-methyl-1H-purine-2,6-dione KSC492Q5R M2073 3-Methyl-3,7-dihydro-purine-2,6-dione NCGC00178088-01 3-methyl-7H-purine-2,6-dione SBB002920 4CH-013701 Spectrum3_001652 ACMC-2098x5 Theophylline Related Compound B, United States Pharmacopeia (USP) Reference Standard BBL012772 ZERO/005108 CCRIS 5817 DB-040769 HY-50723 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl- KBio2_007558 3-methyl-1,3-dihydropurine-2,6-dione 3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione MolPort-000-511-760 3-Methyl-3,9-dihydro-1H-purine-2,6-dione # NSC515466 3-methyl-9H-xanthine SCHEMBL8663339 AB0034663 Spectrum_001898 AKOS004120009 WLN: T56 BM DN FNVMVJ F1 BIDD:GT0266 DTXSID90148107 Jsp000680 2-oxo-3-methylhypoxanthine KBioSS_002428 3-methyl-3,7-dihydro-1H-purine-2,6-dione NCGC00095330-01 3-Methyl-3,9-dihydro-purine-2,6-dione(3-methyl xanthine) RP22873 3-Methylxanthine, 97% SPECTRUM1504182 AC1Q6LGD TC-171085 AN-25217 Xanthine, 3-methyl- C16357 CS-W020049 GEO-01981 1076-22-8 KBio2_002422 3,9-dihydro-3-methyl-1H-purine-2,6-dione LS-162544 MCULE-1015315695 3-methyl-3,7-dihydropurine-2,6-dione NSC 515466 3-methyl-7H-xanthine SC-14084 Spectrum4_001571 AJ-51923 UNII-WS6X982OEC BCP18161 ZINC100459831 CHEBI:62207 DivK1c_006833 I14-4637 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl- (9CI) KBio3_002623 3-Methyl-1H-purine-2,6(3H,7H)-dione [ Show all ]
Inchi Key	GMSNIKWWOQHZGF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
PubChem CID	70639
ChEMBL	CHEMBL619
IUPHAR	N/A
BindingDB	50001515
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC15	<100.0 uM	PMID1331453	ChEMBL

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