| 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 | BDBM185149 |
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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 | 7.9e+2±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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| BDBM185149 |
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| n/a |
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| Name | BDBM185149 |
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| Synonyms: | 1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine | Crenolanib | US11542261, Compound crenolanib |
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| Type | Small organic molecule |
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| Emp. Form. | C26H29N5O2 |
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| Mol. Mass. | 443.5408 |
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| SMILES | CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 |
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| Structure | 
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