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Ligand

NameCHEMBL2373389
Molecular formulaC13H20N5O12P3S
IUPAC name[[(1S,5R)-4-(6-amino-2-methylsulfanylpurin-9-yl)-2,3-dihydroxy-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight563.307
Hydrogen bond acceptor17
Hydrogen bond donor7
XlogP-4.4
SynonymsN/A
Inchi KeyLTSBVSVIZJUZKA-QOUWVLLXSA-N
Inchi IDInChI=1S/C13H20N5O12P3S/c1-34-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-28-32(24,25)30-33(26,27)29-31(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H,24,25)(H,26,27)(H2,14,16,17)(H2,21,22,23)/t5-,7?,8?,9?,13+/m0/s1
PubChem CID73348769
ChEMBLCHEMBL2373389
IUPHARN/A
BindingDBN/A
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
196164P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362
196165P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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