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Ligand

NameCHEMBL302077
Molecular formulaC12H18N5O12P3
IUPAC name[[4-(6-aminopurin-9-yl)-2,3-dihydroxy-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight517.22
Hydrogen bond acceptor16
Hydrogen bond donor7
XlogP-5.3
SynonymsBDBM50112765
triPhosphoric acid-[4-(6-amino-purin-9-yl)-2,3-dihydroxy-bicyclo[3.1.0]hex-1-ylmethyl] ester
Inchi KeyWOSUREDDZAHDRQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H18N5O12P3/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,9(19)8(7)18)2-27-31(23,24)29-32(25,26)28-30(20,21)22/h3-5,7-9,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)
PubChem CID44306835
ChEMBLCHEMBL302077
IUPHARN/A
BindingDB50112765
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
378623P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
378624P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362
378622P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
378621P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
378625P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365

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