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Ligand

NameCHEMBL68067
Molecular formulaC13H20N5O11P3
IUPAC name[[[(1S,5S)-4-(6-aminopurin-9-yl)-2,3-dihydroxy-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid
Molecular weight515.248
Hydrogen bond acceptor15
Hydrogen bond donor7
XlogP-5.4
SynonymsBDBM50112761
CHEMBL2373325
Phosphonomethyl-diphosphonic acid -[4-(6-amino-purin-9-yl)-2,3-dihydroxy-bicyclo[3.1.0]hex-1-ylmethyl] ester
Inchi KeyMKVTVJMTIVFNCE-LSAKBDTQSA-N
Inchi IDInChI=1S/C13H20N5O11P3/c14-11-7-12(16-3-15-11)18(4-17-7)8-6-1-13(6,10(20)9(8)19)2-28-32(26,27)29-31(24,25)5-30(21,22)23/h3-4,6,8-10,19-20H,1-2,5H2,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t6-,8?,9?,10?,13-/m1/s1
PubChem CID73351851
ChEMBLCHEMBL2373325
IUPHARN/A
BindingDB50112761
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
207977P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
207978P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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