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Ligand

NameCHEMBL3289396
Molecular formulaC11H18N5O11P3S
IUPAC name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[dihydroxyphosphinothioyloxy(hydroxy)phosphoryl]methyl]phosphinic acid
Molecular weight521.27
Hydrogen bond acceptor16
Hydrogen bond donor7
XlogP-4.1
SynonymsBDBM50019296
[(Thiophosphonooxy)phosphonylmethyl]phosphonic acid alpha-(5'-adenosyl) ester
Inchi KeyCJFOFYSODKGYDA-IOSLPCCCSA-N
Inchi IDInChI=1S/C11H18N5O11P3S/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(26-11)1-25-28(19,20)4-29(21,22)27-30(23,24)31/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,31)/t5-,7-,8-,11-/m1/s1
PubChem CID66556655
ChEMBLCHEMBL3289396
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.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43304P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374

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