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Target
Serine/threonine-protein kinase/endoribonuclease IRE1 [547-977]
Ligand
BDBM192750
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.5±n/a
IC50
5.0e+4±n/a nM
Comments
extracted
Citation
 Feldman, HC; Tong, M; Wang, L; Meza-Acevedo, R; Gobillot, TA; Lebedev, I; Gliedt, MJ; Hari, SB; Mitra, AK; Backes, BJ; Papa, FR; Seeliger, MA; Maly, DJ Structural and Functional Analysis of the Allosteric Inhibition of IRE1a with ATP-Competitive Ligands. ACS Chem Biol 11:2195-205 (2016) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase/endoribonuclease IRE1 [547-977]
Synonyms:
ERN1 | ERN1_HUMAN | IRE1 | IRE1α
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:
GSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPPEPQPPVTPDAL
  
Inhibitor
Name:
BDBM192750
Synonyms:
KIRA analog, 32
Type:
Small organic molecule
Emp. Form.:
C29H25N5O3
Mol. Mass.:
491.5405
SMILES:
CC1(CC1)c1nc(-c2ccc(NC(=O)OCC(=O)c3ccccc3)c3ccccc23)c2c(N)nccn12
Structure:
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