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TargetAdenosine A1 receptor
LigandBDBM50085674
Substrate/Competitorn/a
Meas. Tech.ChEBML_29424
Ki 369±n/a nM
Citation Keeling SEAlbinson FDAyres BEButchers PRChambers CLCherry PCEllis FEwan GBGregson MKnight JMills KRavenscroft PReynolds LHSanjar SSheehan MJ The discovery and synthesis of highly potent, A2a receptor agonists. Bioorg Med Chem Lett 10:403-6 (2000) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Adenosine A1 receptor
Name:Adenosine A1 receptor
Synonyms:A1 adenosine receptor | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | ADORA1 | Adenosine Receptor A1
Type:Enzyme Catalytic Domain
Mol. Mass.:36501.39
Organism:GUINEA PIG
Description:ADENOSINE A1 ADORA1 GUINEA PIG::P47745
Residue:326
Sequence:
MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGA
LVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVT
PRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYM
VYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALIL
FLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFL
KIWNDHFRCQPEPPIDEDLPEEKVDD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50085674
n/a
NameBDBM50085674
Synonyms:(2S,3S,4R,5R)-5-[2-(4-Amino-cyclohexylamino)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide; TFA | CHEMBL337080
TypeSmall organic molecule
Emp. Form.C32H40N8O4
Mol. Mass.600.7112
SMILESCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:7.12,5.4,35.37,wD:8.8,10.11,38.41,(-2.14,-10.42,;-1.05,-9.34,;-1.45,-7.85,;-.35,-6.77,;-.7,-5.26,;1.12,-7.24,;2.36,-6.34,;3.6,-7.24,;3.12,-8.72,;4.04,-9.95,;1.59,-8.72,;.69,-9.95,;3.38,-4.67,;4.3,-3.42,;3.38,-2.18,;1.92,-2.66,;.59,-1.89,;.57,-.35,;1.92,.42,;1.89,1.96,;3.23,2.73,;4.55,1.96,;5.89,2.73,;5.89,4.28,;4.53,5.03,;3.21,4.26,;.57,2.71,;.57,4.26,;-.77,5.01,;-2.1,4.24,;-2.09,2.7,;-.77,1.93,;-.75,-2.66,;-.75,-4.22,;-2.09,-4.98,;-2.87,-3.64,;-4.41,-3.66,;-5.2,-2.31,;-4.42,-.95,;-5.2,.37,;-2.87,-.95,;-2.09,-2.29,;.59,-4.98,;1.92,-4.2,)|
Structure
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