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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	(R)-PIA
Molecular formula	C19H23N5O4
IUPAC name	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-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	Adenosine, N-[(1R)-1-methyl-2-phenylethyl]- D05LFC l-Phenylisopropyladenosine N6-D-Phenylisopropyladenosine PDSP2_000295 R-PIA (-)-N-(alpha-Methylphenethyl)adensoine (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol 38594-96-6 BRN 4912716 FT-0639482 MFCD00069194 NCGC00162295-02 Phenylisopropyladenosine, L- SMR001230656 (-)-N6-(2-Phenylisopropyl)adenosine (R)-N6-(1-Methyl-2-phenylethyl)adenosine AC1L3PQ7 CHEMBL139000 L-2-N6-(Phenylisopropyl)adenosine N6-(L-2-Phenylisopropyl)adenosine PDSP1_000444 R-(-)-PIA (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenylpropan-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol AKOS030530544 D0M3CG L-PIA N6-[(R)-1-Methyl-2-phenylethyl]ado (R-PIA) PDSP2_000442 REGID_for_CID_93205 (-)-n6-(2-phenylisopropyl) adenosine (R)-(Phenylisopropyl)adenosine 29-36-7 C19H23N5O4 GTPL414 MLS002153162 NCGC00162295-03 R(-)-N(sup 6)-2-Phenylisopropyladenosine TH 162 (-)-N6-(2-Phenylisopropyl)adenosine, solid (R)-N6-(2-Phenylisopropyl)adenosine Adenosine, N-(1-methyl-2-phenylethyl)-, (R)- CTK8F1415 l-N(sup 6)-Phenylisopropyladenosine N6-(R)-Phenylisopropyladenosine PDSP1_001029 R-N6-(phenylisopropyl)adenosine (-)-(Phenylisopropyl)adenosine (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenylpropan-2-ylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol 129601-64-5 BDBM50118810 EINECS 254-028-5 LS-15160 NCGC00162295-01 PDSP2_001013 SCHEMBL8907369 (-)-N6-(2-PHENYLISOPROPYL)-ADENOSINE (R)-N-(1-Methyl-2-phenylethyl)adenosine 31747-27-0 HMS2235H09 N-(1-methyl-2-phenylethyl)adenosine, (R)-isomer PDSP1_000297 R-(-)-N6-(2-Phenyl-isopropyl)adenosine ZINC4475322 (-)-PIA (R)-N6-Phenylisopropyladenosine [ Show all ]
Inchi Key	RIRGCFBBHQEQQH-SSFGXONLSA-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-/m1/s1
PubChem CID	93205
ChEMBL	CHEMBL139000
IUPHAR	414
BindingDB	50118810
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	-1.079 -	PMID18321038	ChEMBL
EC50	1680.0 nM	PMID17378544	BindingDB,ChEMBL
EC50	595662.0 nM	PMID18321038	BindingDB
Ki	3162.28 - 158489.0 nM	PMID16219300, PMID10496952, PMID11266650, PMID11093773, PMID6253037	IUPHAR
logEC50	-3.225 -	PMID18321038	ChEMBL

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