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Ligand

NameCHEMBL241481
Molecular formulaC12H16NO13P3S
IUPAC name[[(2R,3S,4R,5R)-5-(1,3-benzothiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight507.235
Hydrogen bond acceptor15
Hydrogen bond donor6
XlogP-3.3
Synonyms({[({[(2R,3S,4R,5R)-5-(1,3-benzothiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
BDBM50197697
SCHEMBL6394295
Inchi KeyCIAGCYTVMPWBBD-QCNRFFRDSA-N
Inchi IDInChI=1S/C12H16NO13P3S/c14-9-7(5-23-28(19,20)26-29(21,22)25-27(16,17)18)24-11(10(9)15)12-13-6-3-1-2-4-8(6)30-12/h1-4,7,9-11,14-15H,5H2,(H,19,20)(H,21,22)(H2,16,17,18)/t7-,9-,10-,11-/m1/s1
PubChem CID10303040
ChEMBLCHEMBL241481
IUPHARN/A
BindingDB50197697
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
42486P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
42488P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
42487P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365

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