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Ligand

NameCHEMBL2092779
Molecular formulaC20H21F2N5O4S
IUPAC name(2S,3S,4R,5R)-2-[(2,4-difluorophenyl)sulfanylmethyl]-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol
Molecular weight465.476
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP2.2
SynonymsBDBM50451982
Inchi KeyGJLUJCRJDFVKER-OFGIKRIPSA-N
Inchi IDInChI=1S/C20H21F2N5O4S/c21-10-1-2-14(12(22)5-10)32-7-13-16(28)17(29)20(31-13)27-9-25-15-18(23-8-24-19(15)27)26-11-3-4-30-6-11/h1-2,5,8-9,11,13,16-17,20,28-29H,3-4,6-7H2,(H,23,24,26)/t11?,13-,16-,17-,20-/m1/s1
PubChem CID59991900
ChEMBLCHEMBL2092779
IUPHARN/A
BindingDB50451982
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
98046Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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