Brief Information of the Compound and Protein
Compound Name
 Compound Info 
pentasodium {[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}methyl)phosphinato]oxy}(boranuidyl)phosphoryl ({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}methyl)phosphonate
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Canonical SMILES
[BH3-]P(=O)(OP(=O)([O-])CP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)([O-])CP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[Na+].[Na+].[Na+].[Na+].[Na+]
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Compound Formula C22H31BN10Na5O19P5
Compound Structure
Protein Name
 Protein Info 
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
Protein Classification
Enzyme
Uniprot ID
P22413
Gene Name
ENPP1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  3
1
IC50 = 63000 nM
   TI
   LI
   LO
   TS
2
Ki = 20000 nM
   TI
   LI
   LO
   TS
3
Ki = 31000 nM
   TI
   LI
   LO
   TS