Brief Information of the Compound and Protein
Compound Name
 Compound Info 
[(1S,2R,3S,4R,5R,6S)-2-[2-(adamantane-1-carbonylamino)ethoxy]-3,6-dihydroxy-4,5-diphosphonooxycyclohexyl] dihydrogen phosphate
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 PubChem ID
CID: 44123618
Canonical SMILES
O[C@H]1[C@@H](OCCNC(=O)C23CC4CC(CC(C4)C2)C3)[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 C19H34NO16P3
Compound Structure
Protein Name
 Protein Info 
Inositol 1,4,5-trisphosphate receptor type 1
Protein Classification
Ion channel
>
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 = 30 nM
   TI
   LI
   LO
   TS
2
Kd = 0.2 nM
   TI
   LI
   LO
   TS
3
Kd = 1.63 nM
   TI
   LI
   LO
   TS
4
Kd = 7.62 nM
   TI
   LI
   LO
   TS