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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 A2b
Species	Homo sapiens (Human)
Gene	ADORA2B
Synonym	adenosine receptor A2b A2BR A2B receptor A2b
Disease	Paroxysmal supraventricular tachycardia Non-insulin dependent diabetes Hypertension Herpes simplex virus infection Apnea Asthma [ Show all ]
Length	332
Amino acid sequence	MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYTFHKIISRYLLCQADVKSGNGQAGVQPALGVGL
UniProt	P29275
Protein Data Bank	N/A
GPCR-HGmod model	P29275
3D structure model	This predicted structure model is from GPCR-EXP P29275.
BioLiP	N/A
Therapeutic Target Database	T86679
ChEMBL	CHEMBL255
IUPHAR	20
DrugBank	BE0000241

Ligand

Name	851371-22-7
Molecular formula	C17H12N6O
IUPAC name	4-(furan-2-yl)-N-pyridin-3-yl-5-pyrimidin-4-ylpyrimidin-2-amine
Molecular weight	316.324
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.7
Synonyms	C17H12N6O LAS-38096 [4,5'-Bipyrimidin]-2'-amine, 4'-(2-furanyl)-N-3-pyridinyl- (4,5'-Bipyrimidin)-2'-amine, 4'-(2-furanyl)-N-3-pyridinyl- 4''-(furan-2-yl)-N-(pyridin-3-yl)-4,5''-bipyrimidin-2''-amine Adenosine A2b receptor antagonists (inflammation), Almirall CTK2I4385 SCHEMBL5239713 4'-(Furan-2-yl)-N-(pyridin-3-yl)-[4,5'-bipyrimidin]-2'-amine AS-19599 GTPL5617 YRPIMMMBNUUYLG-UHFFFAOYSA-N 168SF9F04E LAS38096 4'-(2-Furyl)-N-(3-pyridinyl)-4,5'-bipyrimidin-2'-amine AJ-64550 D08ECB UNII-168SF9F04E 4-furan-2-yl-N-pyridin-3-yl-5-pyrimidin-4-ylpyrimidin-2-amine BDBM50211685 Kinome_3729 ZINC13981593 (4'-FURAN-2-YL-[4,5']BIPYRIMIDINYL-2'-YL)-PYRIDIN-3-YL-AMINE 4''-(2-furyl)-N-pyridin-3-yl-4,5''-bipyrimidin-2''-amine CHEMBL375293 MolPort-029-940-546 4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-amine AKOS022179022 DTXSID90471104 Y1268 [ Show all ]
Inchi Key	YRPIMMMBNUUYLG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
PubChem CID	11716665
ChEMBL	CHEMBL375293
IUPHAR	5617
BindingDB	50211685
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	321.0 nM	PMID17469811	BindingDB,ChEMBL
IC50	340.0 nM	PMID17469811	BindingDB
Ki	17.0 nM	PMID20137946, PMID17469811, PMID20137946, PMID17469811	BindingDB,IUPHAR,ChEMBL

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