Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetIRE1α
LigandBDBM192724
Substrate/Competitorn/a
Meas. Tech.Kinase Assay
pH7.5±n/a
IC50 6.8e+2± 6e+1 nM
Commentsextracted
Citation Feldman, HCTong, MWang, LMeza-Acevedo, RGobillot, TALebedev, IGliedt, MJHari, SBMitra, AKBackes, BJPapa, FRSeeliger, MAMaly, DJ Structural and Functional Analysis of the Allosteric Inhibition of IRE1a with ATP-Competitive Ligands. ACS Chem Biol11:2195-205 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
IRE1α
Name:IRE1α
Synonyms:n/a
Type:Protein
Mol. Mass.:49232.75
Organism:Homo sapiens (Human)
Description:Cytosolic kinase and RNase domains of human IRE1α (residues 547-977) in SF9 insect cells
Residue:431
Sequence:
GSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECF
SFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPI
TLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFS
RRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANIL
LGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVS
DRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRN
KKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPP
EPQPPVTPDAL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM192724
NameBDBM192724
Synonyms:KIRA analog, 6
TypeSmall organic molecule
Emp. Form.C28H23F3N6O2
Mol. Mass.532.5164
SMILESCC1(COC1)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a