Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase/endoribonuclease IRE1 [547-977]
Ligand
BDBM192751
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.5±n/a
IC50
1.1e+2±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:
BDBM192751
Synonyms:
AT9283
Type:
Small organic molecule
Emp. Form.:
C19H23N7O2
Mol. Mass.:
381.4316
SMILES:
O=C(NC1CC1)Nc1cc(n[nH]1)-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Structure:
Search PDB for entries with ligand similarity: