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Ligand

NameCHEMBL1784892
Molecular formulaC16H22N3O15P3
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(phenylmethoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight589.279
Hydrogen bond acceptor15
Hydrogen bond donor7
XlogP-3.7
SynonymsBDBM50345484
N-Benzyloxycytidine 5'-triphosphoric acid
N4-Benzyloxycytidine-5''-triphosphate
Inchi KeyBQIJGMRNEJCCQG-NMFUWQPSSA-N
Inchi IDInChI=1S/C16H22N3O15P3/c20-13-11(9-31-36(26,27)34-37(28,29)33-35(23,24)25)32-15(14(13)21)19-7-6-12(17-16(19)22)18-30-8-10-4-2-1-3-5-10/h1-7,11,13-15,20-21H,8-9H2,(H,26,27)(H,28,29)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/m1/s1
PubChem CID53308272
ChEMBLCHEMBL1784892
IUPHARN/A
BindingDB50345484
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
30315P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
30316P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
30314P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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