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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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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	102284-70-8
Molecular formula	C14H18N4O2
IUPAC name	1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione
Molecular weight	274.324
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.5
Synonyms	1,3-N-Dipropyl-7-propargylxanthine ANW-66864 UNII-0PX75FMH1H 3,7-Dihydro-1,3-dipropyl-7-(2-propyn-1-yl)-1H-purine-2,6-dione 0595AA AJ-83577 DTXSID70469842 1,3-Dipropyl-7-(2-propynyl)xanthine AX8237166 ZINC28758039 CHEMBL25223 0PX75FMH1H AKOS016007982 SCHEMBL315866 1,3-Dipropyl-7-prop-2-ynyl-3,7-dihydro-purine-2,6-dione 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-(2-propynyl)- BDBM50025578 7-(Prop-2-yn-1-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione CTK8C1541 1,3-Dipropyl 7-propargylxanthine [ Show all ]
Inchi Key	ZJNGTKZTSFZGPQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H18N4O2/c1-4-7-16-10-15-12-11(16)13(19)18(9-6-3)14(20)17(12)8-5-2/h1,10H,5-9H2,2-3H3
PubChem CID	11637638
ChEMBL	CHEMBL25223
IUPHAR	N/A
BindingDB	50025578
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	400.0 nM	PMID3806581	BindingDB,ChEMBL

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