| Reaction Details |
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 | Report a problem with these data |
| Target | Serine/threonine-protein kinase/endoribonuclease IRE1 [547-977] |
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| Ligand | BDBM50436850 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Kinase Assay |
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| pH | 7.5±n/a |
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| IC50 | 3.7e+3±n/a nM |
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| Comments | extracted |
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| 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 Biol11:2195-205 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Serine/threonine-protein kinase/endoribonuclease IRE1 [547-977] |
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| Name: | Serine/threonine-protein kinase/endoribonuclease IRE1 [547-977] |
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| Synonyms: | ERN1 | ERN1_HUMAN | IRE1 | IRE1α |
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| Type: | Protein |
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| Mol. Mass.: | 49232.75 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Cytosolic kinase and RNase domains of human IRE1α (residues 547-977) in SF9 insect cells |
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| Residue: | 431 |
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| Sequence: | GSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRILPECF
SFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAHLGLEPI
TLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAVGRHSFS
RRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQANIL
LGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQFFQDVS
DRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDLLRAMRN
KKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPYYFHEPP
EPQPPVTPDAL
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| BDBM50436850 |
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| n/a |
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| Name | BDBM50436850 |
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| Synonyms: | CERITINIB | CHEMBL2403108 | LDK378 | US10053458, Comparative Example 2 | US10618884, Example 16 | US9809572, Example 16 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H36ClN5O3S |
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| Mol. Mass. | 558.135 |
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| SMILES | CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |
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| Structure | 
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