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Ligand

NameCHEMBL1950555
Molecular formulaC27H31N5O6
IUPAC name(2R,3R,4S,5R)-2-[6-[[(2R)-2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight521.574
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP3.3
SynonymsBDBM50364062
ZINC4475154
Inchi KeyBUHVIAUBTBOHAG-JMFNPSSSSA-N
Inchi IDInChI=1S/C27H31N5O6/c1-15-6-4-5-7-19(15)20(16-8-17(36-2)10-18(9-16)37-3)11-28-25-22-26(30-13-29-25)32(14-31-22)27-24(35)23(34)21(12-33)38-27/h4-10,13-14,20-21,23-24,27,33-35H,11-12H2,1-3H3,(H,28,29,30)/t20-,21-,23-,24-,27-/m1/s1
PubChem CID57392607
ChEMBLCHEMBL1950555
IUPHARN/A
BindingDB50364062
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33093Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
33092Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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