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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	1,3-Dipropyl-7-methylxanthine
Molecular formula	C12H18N4O2
IUPAC name	7-methyl-1,3-dipropylpurine-2,6-dione
Molecular weight	250.302
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.7
Synonyms	W5353 31542-63-9 7-methyl-1,3-dipropylpurine-2,6-dione BR-23547 DB-048065 Lopac-D-108 NCGC00015305-04 SCHEMBL316911 SR-01000075845-1 7-Methyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione AJ-36946 CCG-204509 FT-0606723 MFCD00055219 NCGC00093841-02 Tox21_500417 1H-Purine-2,6-dione, 3,7-dihydro-7-methyl-1,3-dipropyl- 7-methyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione AX8000923 CHEMBL278332 HMS3373A22 NCGC00015305-02 PubChem9451 ZINC2516057 AC1L4PY2 C-15430 DTXSID60185448 Lopac0_000417 NCGC00015305-05 SMR001254091 ST24033125 7-methyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione AKOS015914418 CD-783 HMS2232K22 MLS002172458 NCGC00093841-03 VZ20603 1H-Purine-2,6-dione,3,7-dihydro-7-methyl-1,3-dipropyl- 7-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione BDBM50001500 CTK4G7325 J-018456 NCGC00015305-03 S-6485 SR-01000075845 542D639 AC1Q6LFY CC-03192 EU-0100417 LP00417 NCGC00093841-01 TL8002419 1,3-Dipropyl-7-methylxanthine, solid 7-methyl-1,3-dipropyl-3,7-dihydro-1h-purin-2,6-dion ANW-48715 HMS3261C16 NCGC00015305-01 NCGC00261102-01 [ Show all ]
Inchi Key	QVAYTZAGDQIWMB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3
PubChem CID	161713
ChEMBL	CHEMBL278332
IUPHAR	N/A
BindingDB	50001500
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	1200.0 nM	PMID3806581	BindingDB,ChEMBL

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