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TargetIRE1α
LigandBDBM185149
Substrate/Competitorn/a
Meas. Tech.Kinase Assay
IC50 7.9e+2± 0 nM
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:
BDBM185149
n/a
NameBDBM185149
Synonyms:1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine | Crenolanib
TypeSmall organic molecule
Emp. Form.C26H29N5O2
Mol. Mass.443.5408
SMILESCC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
Structure
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