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Ligand

Nameadenylpyrophosphate
Molecular formulaC10H12N5O13P3-4
IUPAC name[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Molecular weight503.149
Hydrogen bond acceptor17
Hydrogen bond donor3
XlogP-6.0
SynonymsD01BYB
[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
2e5y
2vhq
3d2e
[ Show all ]
Inchi KeyZKHQWZAMYRWXGA-KQYNXXCUSA-J
Inchi IDInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1
PubChem CID5461108
ChEMBLN/A
IUPHARN/A
BindingDB50422407
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
430562P2Y purinoceptor 1P49651P2ry1Rattus norvegicus (Rat)373

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