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GLASS

You can:

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	CHEMBL589549
Molecular formula	C13H17N5
IUPAC name	N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-9-methylpurin-6-amine
Molecular weight	243.314
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.4
Synonyms	AC1OCF5T UNII-YCGMULHHH6 component MTQYIGCUBBMQCJ-AEJSXWLSSA-N N-[(1R,2S,4S)-Bicyclo[2.2.1]heptan-2beta-yl]-9-methyl-9H-purin-6-amine BDBM50308508 N-((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)-9-methyl-9H-purin-6-amine N-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]-9-methylpurin-6-amine N-0861 [ Show all ]
Inchi Key	MTQYIGCUBBMQCJ-AEJSXWLSSA-N
Inchi ID	InChI=1S/C13H17N5/c1-18-7-16-11-12(14-6-15-13(11)18)17-10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,14,15,17)/t8-,9+,10-/m0/s1
PubChem CID	6918211
ChEMBL	CHEMBL589549
IUPHAR	N/A
BindingDB	50308508
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	3750.0 nM	PMID20188574	BindingDB,ChEMBL

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