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Target
Serine/threonine-protein kinase/endoribonuclease IRE1 [547-977]
Ligand
BDBM192728
Substrate
n/a
Meas. Tech.
In vitro RNase Assay
IC50
1.2e+3± 1e+2 nM
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:
BDBM192728
Synonyms:
KIRA analog, 10
Type:
Small organic molecule
Emp. Form.:
C26H25F3N6O
Mol. Mass.:
494.5115
SMILES:
Cc1c(C)c(ccc1NC(=O)Nc1cccc(c1)C(F)(F)F)-c1nc(n2ccnc(N)c12)C1(C)CC1
Structure:
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