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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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GPCR

Name	Adenosine receptor A2a
Species	Rattus norvegicus (Rat)
Gene	Adora2a
Synonym	A2-AR A2A receptor adenosine receptor A2a RDC8
Disease	N/A for non-human GPCRs
Length	410
Amino acid sequence	MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
UniProt	P30543
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	CHEMBL302
IUPHAR	19
DrugBank	N/A

Ligand

Name	CHEMBL338723
Molecular formula	C17H19N5OS2
IUPAC name	2-(4-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide
Molecular weight	373.493
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.8
Synonyms	2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylsulfanyl)-pentanoic acid amide BDBM50053937 2-[[1-Phenyl-4-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]pentanamide
Inchi Key	AWVAXCYPDMVCFO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N5OS2/c1-3-7-13(14(18)23)25-17-20-15-12(16(21-17)24-2)10-19-22(15)11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3,(H2,18,23)
PubChem CID	10761899
ChEMBL	CHEMBL338723
IUPHAR	N/A
BindingDB	50053937
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	4380.0 nM	PMID8863792	BindingDB,ChEMBL

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