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Target
Serine/threonine-protein kinase/endoribonuclease IRE1 [547-977]
Ligand
BDBM50130725
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.5±n/a
IC50
1.3e+3±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:
BDBM50130725
Synonyms:
3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phenyl)-pyrrole-2,5-dione | 3-(3-chloro-4-hydroxyphenylamino)-4-(2-nitrophenyl)-1H-pyrrole-2,5-dione | CHEMBL322970 | SB-415286 | SB415286 | cid_4210951
Type:
Small organic molecule
Emp. Form.:
C16H10ClN3O5
Mol. Mass.:
359.721
SMILES:
Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6|
Structure:
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