Ki Summary

Reaction Details

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Target

Serine/threonine-protein kinase/endoribonuclease IRE1

Ligand

BDBM627510

Substrate/Competitor

n/a

Meas. Tech.

Inhibition of Kinase Activity of IRE1alpha

IC50

3.40±n/a nM

Citation

Keenan, R; Sutton, J; Hynd, G; Panchal, T Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same US Patent US20230331719 Publication Date 10/19/2023

More Info.:

Get all data from this article, Assay Method

Serine/threonine-protein kinase/endoribonuclease IRE1

Name:

Serine/threonine-protein kinase/endoribonuclease IRE1

Synonyms:

Type:

Enzyme

Mol. Mass.:

109731.20

Organism:

Homo sapiens (Human)

Description:

O75460

Residue:

977

Sequence:

MPARRLLLLLTLLLPGLGIFGSTSTVTLPETLLFVSTLDGSLHAVSKRTGSIKWTLKEDP
VLQVPTHVEEPAFLPDPNDGSLYTLGSKNNEGLTKLPFTIPELVQASPCRSSDGILYMGK
KQDIWYVIDLLTGEKQQTLSSAFADSLCPSTSLLYLGRTEYTITMYDTKTRELRWNATYF
DYAASLPEDDVDYKMSHFVSNGDGLVVTVDSESGDVLWIQNYASPVVAFYVWQREGLRKV
MHINVAVETLRYLTFMSGEVGRITKWKYPFPKETEAKSKLTPTLYVGKYSTSLYASPSMV
HEGVAVVPRGSTLPLLEGPQTDGVTIGDKGECVITPSTDVKFDPGLKSKNKLNYLRNYWL
LIGHHETPLSASTKMLERFPNNLPKHRENVIPADSEKKSFEEVINLVDQTSENAPTTVSR
DVEEKPAHAPARPEAPVDSMLKDMATIILSTFLLIGWVAFIITYPLSMHQQQQLQHQQFQ
KELEKIQLLQQQQQQLPFHPPGDTAQDGELLDTSGPYSESSGTSSPSTSPRASNHSLCSG
SSASKAGSSPSLEQDDGDEETSVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKR
ILPECFSFADREVQLLRESDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVEQKDFAH
LGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILISMPNAHGKIKAMISDFGLCKKLAV
GRHSFSRRSGVPGTEGWIAPEMLSEDCKENPTYTVDIFSAGCVFYYVISEGSHPFGKSLQ
RQANILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAKHVLKHPFFWSLEKQLQ
FFQDVSDRIEKESLDGPIVKQLERGGRAVVKMDWRENITVPLQTDLRKFRTYKGGSVRDL
LRAMRNKKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYRAMELCSHERLFQPY
YFHEPPEPQPPVTPDAL

BDBM627510

n/a

Name

BDBM627510

Synonyms:

N-(4-(4-amino-1-isopropyl-7-((1r,4r)-4-morpholinocyclohexyl)-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,5-difluorophenyl)-2-fluoro-5-methylbenzenesulfonamide | US20230331719, Compound A12

Type

Small organic molecule

Emp. Form.

C32H37F3N6O3S

Mol. Mass.

642.735

SMILES

CC(C)n1nc(-c2cc(F)c(NS(=O)(=O)c3cc(C)ccc3F)cc2F)c2c(N)ncc([C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:32.33,wD:35.40,(-1.98,-2.92,;-.95,-1.78,;.56,-2.1,;-1.42,-.31,;-.52,.93,;-1.42,2.18,;-.95,3.64,;-1.98,4.79,;-1.5,6.25,;-2.53,7.4,;.01,6.57,;.48,8.04,;1.99,8.36,;1.59,9.85,;3.32,9.13,;3.02,7.21,;2.54,5.75,;3.57,4.61,;3.1,3.14,;5.08,4.93,;5.55,6.39,;4.52,7.53,;5,9,;1.04,5.43,;.56,3.96,;1.59,2.82,;-2.89,1.7,;-4.22,2.47,;-4.22,4.01,;-5.55,1.7,;-5.55,.16,;-4.22,-.61,;-4.22,-2.15,;-2.89,-2.92,;-2.89,-4.46,;-4.22,-5.23,;-5.55,-4.46,;-5.55,-2.92,;-4.22,-6.77,;-5.55,-7.54,;-5.55,-9.08,;-4.22,-9.85,;-2.89,-9.08,;-2.89,-7.54,;-2.89,.16,)|

Structure