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Ligand

NameDiadenosine Pentaphosphate
Molecular formulaC20H29N10O22P5
IUPAC namebis[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Molecular weight916.369
Hydrogen bond acceptor30
Hydrogen bond donor11
XlogP-9.4
Synonyms199995-62-5
Adenosine-(5')-pentaphospho-(5')-adenosine
bis[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
EINECS 255-507-1
ZINC96085195
[ Show all ]
Inchi KeyOIMACDRJUANHTJ-XPWFQUROSA-N
Inchi IDInChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
PubChem CID440210
ChEMBLCHEMBL437508
IUPHARN/A
BindingDB50435017
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
242186P2Y purinoceptor 1P49651P2ry1Rattus norvegicus (Rat)373
242187P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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