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Ligand

NameCHEMBL1802096
Molecular formulaC22H28N10Na4O17P4
IUPAC nametetrasodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]methyl-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate
Molecular weight920.373
Hydrogen bond acceptor25
Hydrogen bond donor6
XlogPNone
SynonymsN/A
Inchi KeyWRUMZGJBPNGAOZ-ONEIZVEPSA-J
Inchi IDInChI=1S/C22H32N10O17P4.4Na/c23-17-11-19(27-3-25-17)31(5-29-11)21-15(35)13(33)9(47-21)1-45-50(37,38)7-52(41,42)49-53(43,44)8-51(39,40)46-2-10-14(34)16(36)22(48-10)32-6-30-12-18(24)26-4-28-20(12)32;;;;/h3-6,9-10,13-16,21-22,33-36H,1-2,7-8H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,23,25,27)(H2,24,26,28);;;;/q;4*+1/p-4/t9-,10-,13-,14-,15-,16-,21-,22-;;;;/m1..../s1
PubChem CID56673378
ChEMBLCHEMBL1802096
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
380759P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
380758P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374

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