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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	(S)-PIA
Molecular formula	C19H23N5O4
IUPAC name	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2S)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol
Molecular weight	385.424
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	2.0
Synonyms	CHEMBL420705 PDSP1_000298 GTPL415 PDSP2_001015 BDBM50080398 N6-[(S)-1-Methyl-2-phenylethyl]ado (S-PIA) SCHEMBL6762494 (2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol CTK1C3340 PDSP1_001031 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol N6-((S)-1-Methyl-2-phenylethyl)adenosine S(+)-N6-(2-PHENYLISOPROPYL)ADENOSINE (S( +)-PIA) (+)-N6-(2-Phenylisopropyl)adenosine NCGC00163299-01 ZINC1320081 (S)-N6-(1-Methyl-2-phenylethyl)adenosine D0E9QX PDSP2_000296 38594-97-7 AC1NSM10 N6-(D-2-Phenylisopropyl)adenosine S-PIA (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2S)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol [ Show all ]
Inchi Key	RIRGCFBBHQEQQH-KFAHYOAQSA-N
Inchi ID	InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13+,15+,16+,19+/m0/s1
PubChem CID	5312112
ChEMBL	CHEMBL420705
IUPHAR	415
BindingDB	50080398
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	6309.57 - 63095.7 nM	PMID16219300, PMID10496952	IUPHAR

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