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Ligand

NameCHEMBL2113426
Molecular formulaC19H23N5O3S
IUPAC name(2R,3R,4S,5S)-2-[6-(benzylamino)purin-9-yl]-5-(ethylsulfanylmethyl)oxolane-3,4-diol
Molecular weight401.485
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.3
SynonymsN-Benzyl-5'-(ethylthio)-5'-deoxyadenosine
Inchi KeyAODTZNBIOJWFHW-NVQRDWNXSA-N
Inchi IDInChI=1S/C19H23N5O3S/c1-2-28-9-13-15(25)16(26)19(27-13)24-11-23-14-17(21-10-22-18(14)24)20-8-12-6-4-3-5-7-12/h3-7,10-11,13,15-16,19,25-26H,2,8-9H2,1H3,(H,20,21,22)/t13-,15-,16-,19-/m1/s1
PubChem CID10573122
ChEMBLCHEMBL2113426
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10152Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
10153Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
442103Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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