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Ligand

NameCHEMBL2113685
Molecular formulaC16H18IN5O2S
IUPAC name(2S)-3-[6-[(3-iodophenyl)methylamino]-2-methylsulfanylpurin-9-yl]propane-1,2-diol
Molecular weight471.317
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.0
SynonymsBDBM50453666
Inchi KeyAQADPXZMOSNTQN-LBPRGKRZSA-N
Inchi IDInChI=1S/C16H18IN5O2S/c1-25-16-20-14(18-6-10-3-2-4-11(17)5-10)13-15(21-16)22(9-19-13)7-12(24)8-23/h2-5,9,12,23-24H,6-8H2,1H3,(H,18,20,21)/t12-/m0/s1
PubChem CID71459963
ChEMBLCHEMBL2113685
IUPHARN/A
BindingDB50453666
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
11519Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
11518Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
11517Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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