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Ligand

NameCHEMBL393101
Molecular formulaC12H16NO15P3
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxofuro[3,2-c]pyridin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight507.173
Hydrogen bond acceptor15
Hydrogen bond donor6
XlogP-4.7
SynonymsSCHEMBL6794538
BDBM50195823
({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-{4-oxo-4H,5H-furo[3,2-c]pyridin-5-yl}oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Inchi KeyBLEONBFGYDTTBD-DNRKLUKYSA-N
Inchi IDInChI=1S/C12H16NO15P3/c14-9-8(5-25-30(20,21)28-31(22,23)27-29(17,18)19)26-12(10(9)15)13-3-1-7-6(11(13)16)2-4-24-7/h1-4,8-10,12,14-15H,5H2,(H,20,21)(H,22,23)(H2,17,18,19)/t8-,9-,10-,12-/m1/s1
PubChem CID44439746
ChEMBLCHEMBL393101
IUPHARN/A
BindingDB50195823
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
26468P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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