Reaction Details Report a problem with these data
Target
Inositol-trisphosphate 3-kinase A
Ligand
BDBM618482
Substrate
n/a
Meas. Tech.
No assay
IC50
10200±n/a nM
Citation
 Stein, CA; Castanotto, D; Horne, D TKI permeability enhancers US Patent  US11759530 Publication Date 9/19/2023 
Target
Name:
Inositol-trisphosphate 3-kinase A
Synonyms:
IP3KA_HUMAN | ITPKA | Inositol 1,4,5-trisphosphate 3-kinase (IP3K ) | Inositol-trisphosphate 3-kinase
Type:
Protein
Mol. Mass.:
51014.30
Organism:
Homo sapiens (Human)
Description:
P23677
Residue:
461
Sequence:
MTLPGGPTGMARPGGARPCSPGLERAPRRSVGELRLLFEARCAAVAAAAAAGEPRARGAKRRGGQVPNGLPRAPPAPVIPQLTVTAEEPDVPPTSPGPPERERDCLPAAGSSHLQQPRRLSTSSVSSTGSSSLLEDSEDDLLSDSESRSRGNVQLEAGEDVGQKNHWQKIRTMVNLPVISPFKKRYAWVQLAGHTGSFKAAGTSGLILKRCSEPERYCLARLMADALRGCVPAFHGVVERDGESYLQLQDLLDGFDGPCVLDCKMGVRTYLEEELTKARERPKLRKDMYKKMLAVDPEAPTEEEHAQRAVTKPRYMQWREGISSSTTLGFRIEGIKKADGSCSTDFKTTRSREQVLRVFEEFVQGDEEVLRRYLNRLQQIRDTLEVSEFFRRHEVIGSSLLFVHDHCHRAGVWLIDFGKTTPLPDGQILDHRRPWEEGNREDGYLLGLDNLIGILASLAER
  
Inhibitor
Name:
BDBM618482
Synonyms:
US11759530, Compound Table1.5
Type:
Small organic molecule
Emp. Form.:
C20H17F3N7O2
Mol. Mass.:
444.3893
SMILES:
O[N+](=O)c1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3[nH]cnc23)cc1
Structure:
Search PDB for entries with ligand similarity: