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Ligand

Name606-67-7
Molecular formulaC10H12N5Na4O13P3
IUPAC nametetrasodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Molecular weight595.108
Hydrogen bond acceptor17
Hydrogen bond donor3
XlogPNone
SynonymsCHEMBL2364735
Adenosine Disodium Triphosphate?
Adenosine 5'-(tetrahydrogen triphosphate), tetrasodium salt
51963-61-2
Adenosine 5'-triphosphoric acid tetrasodium salt
Inchi KeyPZFIDIJKTNDKOV-KWIZKVQNSA-J
Inchi IDInChI=1S/C10H16N5O13P3.4Na/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);;;;/q;4*+1/p-4/t4-,6-,7-,10-;;;;/m1..../s1
PubChem CID22799238
ChEMBLCHEMBL2364735
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
272624P2Y purinoceptor 1P49651P2ry1Rattus norvegicus (Rat)373

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