Brief Information of the Compound and Protein
Compound Name
CHEMBL1213160
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Canonical SMILES
O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)O)[C@@H](OP(O)(O)=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 C17H42N2O37P8
Compound Structure
Protein Name
Inositol 1,4,5-trisphosphate receptor type 1
Protein Classification
Ion channel
>
Ligand-gated ion channel
>
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 Gallus gallus (Chicken)  4
1
EC50 = 5 nM
   TI
   LI
   LO
   TS
2
Kd = 0.2 nM
   TI
   LI
   LO
   TS
3
Kd = 0.36 nM
   TI
   LI
   LO
   TS
4
Kd = 0.89 nM
   TI
   LI
   LO
   TS