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Ligand

NameCHEMBL428387
Molecular formulaC13H17N2O14P3
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-oxo-1,6-naphthyridin-6-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight518.2
Hydrogen bond acceptor15
Hydrogen bond donor6
XlogP-4.9
Synonyms({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
BDBM50195833
SCHEMBL6794437
Inchi KeyGEYRTMIPLQLMMQ-PRULPYPASA-N
Inchi IDInChI=1S/C13H17N2O14P3/c16-10-9(6-26-31(22,23)29-32(24,25)28-30(19,20)21)27-13(11(10)17)15-5-3-8-7(12(15)18)2-1-4-14-8/h1-5,9-11,13,16-17H,6H2,(H,22,23)(H,24,25)(H2,19,20,21)/t9-,10-,11-,13-/m1/s1
PubChem CID44439744
ChEMBLCHEMBL428387
IUPHARN/A
BindingDB50195833
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
94789P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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