| Reaction Details |
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 | Report a problem with these data |
| Target | Glutathione S-transferase P/Serine/threonine-protein kinase/endoribonuclease IRE1 |
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| Ligand | BDBM257008 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibition Assay |
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| pH | 7.5±n/a |
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| Temperature | 303.15±n/a K |
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| IC50 | <100±n/a nM |
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| Comments | extracted |
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| Citation |  Zeng, Q; Wade, WS; Patterson, JB IRE-1α inhibitors US Patent US9493435 Publication Date 11/15/2016 |
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| More Info.: | Get all data from this article, Assay Method |
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| |
| Glutathione S-transferase P/Serine/threonine-protein kinase/endoribonuclease IRE1 |
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| Name: | Glutathione S-transferase P/Serine/threonine-protein kinase/endoribonuclease IRE1 |
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| Synonyms: | GST-Inositol requiring enzyme 1 (IRE-1alpha) |
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| Type: | Enzyme |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Glutathione S-transferase P |
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| Synonyms: | FAEES3 | GST class-pi | GST3 | GSTP1 | GSTP1-1 | GSTP1_HUMAN | Glutathione S-transferase | Glutathione S-transferase (GST) | Glutathione S-transferase P | Glutathione S-transferase Pi | Glutathione transferase (GST) |
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| Type: | Enzyme |
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| Mol. Mass.: | 23353.53 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P09211 |
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| Residue: | 210 |
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| Sequence: | MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGD
LTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYV
KALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAY
VGRLSARPKLKAFLASPEYVNLPINGNGKQ
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| Component 2 |
| Name: | Serine/threonine-protein kinase/endoribonuclease IRE1 |
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| Synonyms: | ERN1 | ERN1_HUMAN | Endoplasmic reticulum-to-nucleus signaling 1 | Endoribonuclease | IRE1 | IRE1a | Inositol requiring enzyme 1 (IRE-1alpha) | Inositol-requiring enzyme 1 (IRE1a) | Inositol-requiring protein 1 | Inositol-requiring protein 1 (IRE1a) | Ire1-alpha | Serine/threonine-protein kinase | Serine/threonine-protein kinase/endoribonuclease IRE1 | Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha | hIRE1p |
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| Type: | Enzyme |
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| Mol. Mass.: | 109731.20 |
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| Organism: | Homo sapiens (Human) |
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| Description: | O75460 |
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| Residue: | 977 |
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| Sequence: | MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDP
VLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGK
KQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYF
DYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKV
MHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMV
HEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWL
LIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSR
DVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQ
KELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSG
SSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKR
ILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAH
LGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAV
GRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQ
RQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQ
FFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDL
LRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPY
YFHEPPEPQPPVTPDAL
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| BDBM257008 |
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| n/a |
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| Name | BDBM257008 |
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| Synonyms: | US9493435, 25 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H19NO4S |
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| Mol. Mass. | 381.445 |
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| SMILES | Cc1cc(sc1-c1ccc2c(C=O)c(O)ccc2c1)C(=O)N1CCOCC1 |
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| Structure | 
|
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