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Ligand

Namealpha,beta-Methylene ATP
Molecular formulaC11H18N5O12P3
IUPAC name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Molecular weight505.209
Hydrogen bond acceptor16
Hydrogen bond donor7
XlogP-5.9
SynonymsALPHA,BETA-METHYLENEADENOSINE-5'-TRIPHOSPHATE
C13740
diphosphomethylphosphonic acid adenosyl ester
PubChem16902
1ru1
[ Show all ]
Inchi KeyCAWZRIXWFRFUQB-IOSLPCCCSA-N
Inchi IDInChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
PubChem CID91557
ChEMBLCHEMBL132722
IUPHARN/A
BindingDB50118221
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
443176Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
37597P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362
37598P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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