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Ligand

NameCHEMBL2064653
Molecular formulaC28H25ClN6O3
IUPAC name(1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-(2-phenylethynyl)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight528.997
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.1
SynonymsBDBM50389145
SCHEMBL10322107
Inchi KeyKZUGDLQNHMJHQU-WANRRHMFSA-N
Inchi IDInChI=1S/C28H25ClN6O3/c1-30-27(38)28-13-19(28)22(23(36)24(28)37)35-15-32-21-25(31-14-17-8-5-9-18(29)12-17)33-20(34-26(21)35)11-10-16-6-3-2-4-7-16/h2-9,12,15,19,22-24,36-37H,13-14H2,1H3,(H,30,38)(H,31,33,34)/t19-,22-,23+,24+,28+/m1/s1
PubChem CID57523714
ChEMBLCHEMBL2064653
IUPHARN/A
BindingDB50389145
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
182178Adenosine receptor A1Q60612Adora1Mus musculus (Mouse)326
448869Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
182177Adenosine receptor A2aQ60613Adora2aMus musculus (Mouse)410
182180Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
182179Adenosine receptor A3Q61618Adora3Mus musculus (Mouse)319
448868Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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