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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	SMR000104521
Molecular formula	C12H16N6O4
IUPAC name	5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	308.298
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-0.7
Synonyms	CHEMBL277076 MCULE-6160962792 AKOS000656214 HMS1375A16 MolPort-001-935-391 ZINC00053379 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide BDBM86761 CHEBI:91647 HMS3371J21 REGID_for_CID_2868392 A2191/0092134 ChemDiv2_002128 MLS000108567 ST092443 BAS 00485788 HMS2187P21 NCGC00015405-02 [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-N-ethylcarboxamide 78647-50-4 BRD-A35338386-001-04-6 L000437 SCHEMBL19928417 AC1MF9Y7 CTK8F6931 MLS001077284 STK762128 5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name) BCP08034 CAS_35920-39-9 HMS3268O07 NSC_448222 [ Show all ]
Inchi Key	JADDQZYHOWSFJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)
PubChem CID	2868392
ChEMBL	CHEMBL277076
IUPHAR	N/A
BindingDB	86761
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	262.0 nM	PMID19569717	PDSP
Ki	330.0 nM	PMID10496952	PDSP
Ki	570.0 nM	PMID19569717	PDSP
Ki	1890.0 nM	PMID19569717	PDSP

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