Brief Information of the Compound and Protein
Compound Name
 Compound Info 
[(1R,2R,3S,4R,5S,6R)-4-[2-[2-[2-[2-[2-[2-[2-[2-[(1R,2S,3R,4R,5S,6S)-2,5-dihydroxy-3,4,6-triphosphonooxycyclohexyl]oxyethylcarbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethoxy]-2,5-dihydroxy-3,6-diphosphonooxycyclohexyl]oxy-trihydroxyphosphanium
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Canonical SMILES
O[C@H]1[C@@H](OCCNC(=O)OCCOCCOCCOCCOCCOCCOC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)O)[C@@H]1OP(O)(O)=O
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Compound Formula C30H64N2O39P6
Compound Structure
Protein Name
 Protein Info 
Inositol 1,4,5-trisphosphate receptor type 1
Protein Classification
Ion channel
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Ligand-gated ion channel
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IP3 receptor
Uniprot ID
P29994
Gene Name
ITPR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000302 DT40
 Cell Line Info 
Gallus gallus (Chicken)  4
1
EC50 = 4.9 nM
   TI
   LI
   LO
   TS
2
Kd = 0.18 nM
   TI
   LI
   LO
   TS
3
Kd = 0.47 nM
   TI
   LI
   LO
   TS
4
Kd = 0.86 nM
   TI
   LI
   LO
   TS