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Ligand

Name2-MeS-ATP tetrasodium
Molecular formulaC11H14N5Na4O13P3S
IUPAC nametetrasodium;[[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Molecular weight641.195
Hydrogen bond acceptor18
Hydrogen bond donor3
XlogPNone
SynonymsAOB5948
100020-57-3
Inchi KeyUEEFBRHXFDJPTA-KWIZKVQNSA-J
Inchi IDInChI=1S/C11H18N5O13P3S.4Na/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21;;;;/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21);;;;/q;4*+1/p-4/t4-,6-,7-,10-;;;;/m1..../s1
PubChem CID91885479
ChEMBLCHEMBL2364736
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
334689P2Y purinoceptor 1P49651P2ry1Rattus norvegicus (Rat)373

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