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

Name	Adenosine receptor A2a
Species	Cavia porcellus (Guinea pig)
Gene	ADORA2A
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	409
Amino acid sequence	MSSSVYITVELVIAVLAILGNVLVCWAVWINSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLTITIDRYIAIRIPLRYNGLVTCTRAKGIIAICWVLSFAIGLTPMLGWNNCSQPKGDKNHSESCDEGQVTCLFEDVVPMNYMVYYNFFAFVLVPLLLMLGIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHPAKSLAIIVGLFALCCLPLNIINCFTFFCPECDHAPPWLMYLTIILSHGNSVVNPLIYAYRIREFRQTFRKIIRSHILRRRELFKAGGTSARASAAHSPEGEQVSLRLNGHPPGVWANGSALRPEQRPNGYVLGLVSGRSAQRSHGDASLSDVELLSHEHKGTCPESPSLEDPPAHGGAGVS
UniProt	P46616
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	CHEMBL2605
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	1-Methylxanthine
Molecular formula	C6H6N4O2
IUPAC name	1-methyl-3,7-dihydropurine-2,6-dione
Molecular weight	166.14
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	-0.3
Synonyms	W7363 AB0025823 ANW-48772 CAS_80220 CTK8B5451 HMS2233F07 KBioSS_000713 MLS001333144 1-Methyl-1H-purine-2,6(3H,7H)-dione SCHEMBL10996 1-Methyl-3,9-dihydro-purine-2,6-dione(1-methyl xanthine) Spectrum2_001195 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-;1-Methyl-3,7-dihydro-1H-purine-2,6-dione 2,6-Dihydroxy-1-methylpurine AJ-64022 BR-48387 CCRIS 5816 DTXSID30210271 KBio2_000713 M2432 NCGC00095783-01 1-Methyl-3,7-dihydro-1H-purine-2,6-dione SDCCGMLS-0066848.P001 Spectrum5_000519 ST50298911 6136-37-4 AKOS015919510 C-30337 CHEMBL1250 FT-0635988 KBio3_002548 MFCD00005561 PubChem23793 1-methyl-3,7-dihydropurine-2,6-dione SpecPlus_000793 136M374 Xanthine, 1-methyl- AC-28113 AX8059684 CC-04826 DB-025633 HMS3371B10 KS-00000MC9 MolPort-003-665-631 1-Methyl-1H-purine-2,6-diol SCHEMBL12037451 1-methyl-3,9-dihydropurine-2,6-dione Spectrum3_001714 2,6 Dihydroxy-1-methylpurine 3,7-Dihydro-1-methyl-1H-purine-2,6-dione AK-48387 BSPBio_003328 CHEBI:68444 EINECS 228-108-5 KBio2_003281 MCULE-9373290148 NSC_80220 1-Methyl-3,7-dihydro-1H-purine-2,6-dione # SMR000857247 1-Methylxanthine, 98% Spectrum_000233 UNII-7EE8WCA32U 7EE8WCA32U AN-666 C16358 CS-W008449 GS-3924 KBioGR_002423 MLS001333143 1-methyl-1,3,7-trihydropurine-2,6-dione RP22872 1-Methyl-3,9-dihydro-purine-2,6-dione SPECTRUM2300329 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl- ZINC13517144 AC1L2Z0D BDBM82020 CCG-38576 DivK1c_006889 KBio1_001833 LS-162543 MVOYJPOZRLFTCP-UHFFFAOYSA-N 1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SCHEMBL9467551 1-methyl-7H-xanthine Spectrum4_001810 2,6- paragraph signthornoC>>u-1-(1/4)x>>uaNssE 4CH-014597 AKOS006229655 C-1023 FCH2258284 KBio2_005849 Methylxanthine Oprea1_807160 1-Methyl-3,7-dihydro-purine-2,6-dione SPBio_001269 1-Methylxanthine, >=97.0% (HPLC) ST2408818 [ Show all ]
Inchi Key	MVOYJPOZRLFTCP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)
PubChem CID	80220
ChEMBL	CHEMBL1250
IUPHAR	N/A
BindingDB	N/A
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	67100.0 nM	PMID1331453	ChEMBL

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