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Ligand

NameCHEMBL334823
Molecular formulaC14H13ClN3O9PS
IUPAC name4-chloro-3-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzenesulfonic acid
Molecular weight465.754
Hydrogen bond acceptor12
Hydrogen bond donor4
XlogP0.4
SynonymsMRS-2191
MRS 2191
BDBM50118243
Inchi KeyJNYMRYXWUVNWPM-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H13ClN3O9PS/c1-7-13(20)9(5-19)10(6-27-28(21,22)23)14(16-7)18-17-12-4-8(29(24,25)26)2-3-11(12)15/h2-5,20H,6H2,1H3,(H2,21,22,23)(H,24,25,26)
PubChem CID135507286
ChEMBLN/A
IUPHARN/A
BindingDB50118243
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
562193P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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