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Ligand

NameAR-C67085MX
Molecular formulaC14H22Cl2N5O12P3S
IUPAC name[[[[(2R,3S,4R,5R)-5-(6-amino-2-propylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-dichloromethyl]phosphonic acid
Molecular weight648.234
Hydrogen bond acceptor17
Hydrogen bond donor7
XlogP-2.9
Synonyms164992-25-0
AC1NSJQ5
AR-C 67085XX
AR-C 67085|||FPL 67085|||FPL 67085XX
AR-C-67085
[ Show all ]
Inchi KeyZLIAJZQKKBOFJR-WOUKDFQISA-N
Inchi IDInChI=1S/C14H22Cl2N5O12P3S/c1-2-3-37-13-19-10(17)7-11(20-13)21(5-18-7)12-9(23)8(22)6(32-12)4-31-36(29,30)33-35(27,28)14(15,16)34(24,25)26/h5-6,8-9,12,22-23H,2-4H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t6-,8-,9-,12-/m1/s1
PubChem CID5310954
ChEMBLCHEMBL336292
IUPHAR1756
BindingDB50118223
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
431361P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
431360P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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