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Ligand

NameCHEMBL3144152
Molecular formulaC14H23N5O9P2S
IUPAC name[(2R,3S,5R)-5-[6-(methylamino)-2-propylsulfanylpurin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight499.372
Hydrogen bond acceptor14
Hydrogen bond donor5
XlogP-1.3
SynonymsN-Methyl-2-(propylthio)-2'-deoxyadenosine 3',5'-bisphosphoric acid
Inchi KeyHHKPIONLVLWICK-IVZWLZJFSA-N
Inchi IDInChI=1S/C14H23N5O9P2S/c1-3-4-31-14-17-12(15-2)11-13(18-14)19(7-16-11)10-5-8(28-30(23,24)25)9(27-10)6-26-29(20,21)22/h7-10H,3-6H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t8-,9+,10+/m0/s1
PubChem CID10601419
ChEMBLCHEMBL3144152
IUPHARN/A
BindingDBN/A
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
115007P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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