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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.
Go to the GPCR page and check other ligands which interact with it.
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	1,3-Dipropyl-8-phenylxanthine
Molecular formula	C17H20N4O2
IUPAC name	8-phenyl-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight	312.373
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.0
Synonyms	8-phenyl-1,3-dipropyl-1H-purine-2,6(3H,9H)-dione AC1Q6LCH CHEBI:107631 MolPort-023-275-889 SR-01000597618 8-phenyl-1,3-dipropyl-7H-purine-2,6-dione BDBM50227332 CLIGSMOZKDCDRZ-UHFFFAOYSA-N NSC_128784 ZINC3995438 85872-53-3 BRD-K41853443-001-02-9 HMS3266E16 SCHEMBL12648449 3,7-Dihydro-1,3-dipropyl-8-phenyl-1H-purine-2,6,dione 8-phenyl-1,3-dipropyl-3,9-dihydro-1h-purine-2,6-dione AKOS024458381 NCGC00024614-01 SR-01000597618-1 8-phenyl-1,3-dipropyl-9H-purine-2,6-dione BDBM82025 DB-056886 PDSP1_000990 1H-Purine-2,6,dione, 3,7-dihydro-1,3-dipropyl-8-phenyl- AC1L2UFC CAS_128784 LS-126996 SCHEMBL661108 8-Phenyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione 8-Phenyl-1,3-dipropyl-3,9-dihydro-purine-2,6-dione AKOS027320574 CHEMBL158507 NCGC00024614-02 Tocris-0486 BRD-K41853443-001-01-1 FT-0642015 PDSP2_000974 1H-Purine-2,6-dione, 3,7-dihydro-8-phenyl-1,3-dipropyl- [ Show all ]
Inchi Key	CLIGSMOZKDCDRZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
PubChem CID	128784
ChEMBL	CHEMBL158507
IUPHAR	N/A
BindingDB	82025
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	300.0 nM	PMID2984420	BindingDB,ChEMBL

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