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Ligand

NameCHEMBL1083264
Molecular formulaC22H43N4O20P3
IUPAC nameN,N-diethylethanamine;[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(methoxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] hydrogen phosphate
Molecular weight776.515
Hydrogen bond acceptor21
Hydrogen bond donor10
XlogPNone
SynonymsN/A
Inchi KeyDZARARRKRUKJGB-WTCMLTMYSA-N
Inchi IDInChI=1S/C16H28N3O20P3.C6H15N/c1-33-18-8-2-3-19(16(26)17-8)14-12(24)10(22)7(35-14)5-34-40(27,28)38-42(31,32)39-41(29,30)37-15-13(25)11(23)9(21)6(4-20)36-15;1-4-7(5-2)6-3/h2-3,6-7,9-15,20-25H,4-5H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,17,18,26);4-6H2,1-3H3/t6-,7-,9-,10-,11+,12-,13-,14-,15-;/m1./s1
PubChem CID46832225
ChEMBLCHEMBL1083264
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
72460P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
72459P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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