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Ligand

NameCHEMBL3746558
Molecular formulaC22H28N10Na4O17P4S4
IUPAC nametetrasodium;[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphinothioyl] [[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-sulfidophosphoryl]oxy-oxidophosphoryl] phosphate
Molecular weight1048.61
Hydrogen bond acceptor29
Hydrogen bond donor6
XlogPNone
SynonymsN/A
Inchi KeyBAEQTOCAPWRXNZ-FHZVOEPPSA-J
Inchi IDInChI=1S/C22H32N10O17P4S4.4Na/c1-56-21-27-15(23)9-17(29-21)31(5-25-9)19-13(35)11(33)7(45-19)3-43-52(41,54)48-50(37,38)47-51(39,40)49-53(42,55)44-4-8-12(34)14(36)20(46-8)32-6-26-10-16(24)28-22(57-2)30-18(10)32;;;;/h5-8,11-14,19-20,33-36H,3-4H2,1-2H3,(H,37,38)(H,39,40)(H,41,54)(H,42,55)(H2,23,27,29)(H2,24,28,30);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-,52?,53?;;;;/m1..../s1
PubChem CID127039999
ChEMBLCHEMBL3746558
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522027P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
522028P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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