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Ligand

NameCHEMBL3612943
Molecular formulaC20H20ClN9O3S
IUPAC name(1S,2R,3S,4R,5S)-4-[2-[4-(5-chlorothiophen-2-yl)triazol-1-yl]-6-(methylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight501.95
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP1.0
SynonymsBDBM50116875
Inchi KeyAGWMCSVUOOBINU-YLPMWNLDSA-N
Inchi IDInChI=1S/C20H20ClN9O3S/c1-22-16-12-17(26-19(25-16)30-6-9(27-28-30)10-3-4-11(21)34-10)29(7-24-12)13-8-5-20(8,18(33)23-2)15(32)14(13)31/h3-4,6-8,13-15,31-32H,5H2,1-2H3,(H,23,33)(H,22,25,26)/t8-,13-,14+,15+,20+/m1/s1
PubChem CID122188582
ChEMBLCHEMBL3612943
IUPHARN/A
BindingDB50116875
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463517Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
463519Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
463518Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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