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Ligand

NameCHEMBL2089346
Molecular formulaC27H25N5O2
IUPAC name(1R,2R,3S,4R,5S)-4-[6-(2-phenylethylamino)-2-(2-phenylethynyl)purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular weight451.53
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.5
SynonymsBDBM50420427
Inchi KeyFYDDTVMINURRAI-IRYUZJHDSA-N
Inchi IDInChI=1S/C27H25N5O2/c33-24-20-15-19(20)23(25(24)34)32-16-29-22-26(28-14-13-18-9-5-2-6-10-18)30-21(31-27(22)32)12-11-17-7-3-1-4-8-17/h1-10,16,19-20,23-25,33-34H,13-15H2,(H,28,30,31)/t19-,20+,23+,24+,25-/m0/s1
PubChem CID70697511
ChEMBLCHEMBL2089346
IUPHARN/A
BindingDB50420427
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
90126Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
90128Adenosine receptor A1Q60612Adora1Mus musculus (Mouse)326
90124Adenosine receptor A2aQ60613Adora2aMus musculus (Mouse)410
90125Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
90127Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
90123Adenosine receptor A3Q61618Adora3Mus musculus (Mouse)319
445303Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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