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Ligand

NameCHEMBL1198849
Molecular formulaC10H18N3O15P3
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(methoxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight513.181
Hydrogen bond acceptor15
Hydrogen bond donor7
XlogP-5.2
SynonymsCHEMBL1083764
N-Methoxycytidine 5'-triphosphoric acid
N4-Methoxycytidine 5''-Triphosphate triethylammonium Salt
BDBM50319143
Inchi KeyJFCPDJMYRHCAHH-ZOQUXTDFSA-N
Inchi IDInChI=1S/C10H18N3O15P3/c1-24-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(26-9)4-25-30(20,21)28-31(22,23)27-29(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
PubChem CID46831692
ChEMBLCHEMBL1198849
IUPHARN/A
BindingDB50319143
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
149452P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
149453P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
149454P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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