Ki Summary

Reaction Details

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Target

Serine/threonine-protein kinase/endoribonuclease IRE1

Ligand

BDBM627502

Substrate/Competitor

n/a

Meas. Tech.

Inhibition of Kinase Activity of IRE1alpha

IC50

2.70±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

BDBM627502

n/a

Name

BDBM627502

Synonyms:

N-(4-(4-amino-1-isopropyl-7-((1r,4r)-4-((2-methoxyethyl)amino)cyclohexyl)-1H-pyrazolo[4,3-c]pyridin-3-yl)-2,5-difluorophenyl)-2-chloro-5-(difluoromethoxy)benzenesulfonamide | US20230331719, Compound A1

Type

Small organic molecule

Emp. Form.

C31H35ClF4N6O4S

Mol. Mass.

699.159

SMILES

COCCN[C@H]1CC[C@@H](CC1)c1cnc(N)c2c(nn(C(C)C)c12)-c1cc(F)c(NS(=O)(=O)c2cc(OC(F)F)ccc2Cl)cc1F |r,wU:8.11,wD:5.4,(-4.26,-12.54,;-4.26,-11,;-2.93,-10.23,;-2.93,-8.69,;-4.26,-7.92,;-4.26,-6.38,;-2.93,-5.61,;-2.93,-4.07,;-4.26,-3.3,;-5.59,-4.07,;-5.59,-5.61,;-4.26,-1.76,;-5.59,-.99,;-5.59,.55,;-4.26,1.32,;-4.26,2.86,;-2.93,.55,;-1.46,1.02,;-.56,-.22,;-1.46,-1.47,;-.99,-2.93,;-2.02,-4.08,;.52,-3.25,;-2.93,-.99,;-.99,2.49,;-2.02,3.63,;-1.54,5.1,;-2.57,6.24,;-.03,5.42,;.44,6.88,;1.95,7.2,;1.55,8.69,;3.04,8.29,;2.98,6.06,;2.5,4.59,;3.53,3.45,;3.06,1.99,;4.09,.84,;3.61,-.62,;5.59,1.16,;5.04,3.77,;5.52,5.23,;4.48,6.38,;4.96,7.84,;1,4.27,;.52,2.81,;1.55,1.67,)|

Structure