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Target
Mitogen-activated protein kinase kinase kinase 5
Ligand
BDBM503699
Substrate
n/a
Meas. Tech.
Biochemical Assay
Kd
750±n/a nM
Citation
 Jin, B; Dong, Q; Hung, G Apoptosis signal-regulating kinase inhibitors and uses thereof US Patent  US11034671 Publication Date 6/15/2021 
Target
Name:
Mitogen-activated protein kinase kinase kinase 5
Synonyms:
ASK1 | M3K5_HUMAN | MAP3K5 | MAPKKK5 | MEKK5
Type:
Protein
Mol. Mass.:
154514.93
Organism:
Homo sapiens (Human)
Description:
Q99683
Residue:
1374
Sequence:
MSTEADEGITFSVPPFAPSGFCTIPEGGICRRGGAAAVGEGEEHQLPPPPPGSFWNVESAAAPGIGCPAATSSSSATRGRGSSVGGGSRRTTVAYVINEASQGQLVVAESEALQSLREACETVGATLETLHFGKLDFGETTVLDRFYNADIAVVEMSDAFRQPSLFYHLGVRESFSMANNIILYCDTNSDSLQSLKEIICQKNTMCTGNYTFVPYMITPHNKVYCCDSSFMKGLTELMQPNFELLLGPICLPLVDRFIQLLKVAQASSSQYFRESILNDIRKARNLYTGKELAAELARIRQRVDNIEVLTADIVINLLLSYRDIQDYDSIVKLVETLEKLPTFDLASHHHVKFHYAFALNRRNLPGDRAKALDIMIPMVQSEGQVASDMYCLVGRIYKDMFLDSNFTDTESRDHGASWFKKAFESEPTLQSGINYAVLLLAAGHQFESSFELRKVGVKLSSLLGKKGNLEKLQSYWEVGFFLGASVLANDHMRVIQASEKLFKLKTPAWYLKSIVETILIYKHFVKLTTEQPVAKQELVDFWMDFLVEATKTDVTVVRFPVLILEPTKIYQPSYLSINNEVEEKTISIWHVLPDDKKGIHEWNFSASSVRGVSISKFEERCCFLYVLHNSDDFQIYFCTELHCKKFFEMVNTITEEKGRSTEEGDCESDLLEYDYEYDENGDRVVLGKGTYGIVYAGRDLSNQVRIAIKEIPERDSRYSQPLHEEIALHKHLKHKNIVQYLGSFSENGFIKIFMEQVPGGSLSALLRSKWGPLKDNEQTIGFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISDFGTSKRLAGINPCTETFTGTLQYMAPEIIDKGPRGYGKAADIWSLGCTIIEMATGKPPFYELGEPQAAMFKVGMFKVHPEIPESMSAEAKAFILKCFEPDPDKRACANDLLVDEFLKVSSKKKKTQPKLSALSAGSNEYLRSISLPVPVLVEDTSSSSEYGSVSPDTELKVDPFSFKTRAKSCGERDVKGIRTLFLGIPDENFEDHSAPPSPEEKDSGFFMLRKDSERRATLHRILTEDQDKIVRNLMESLAQGAEEPKLKWEHITTLIASLREFVRSTDRKIIATTLSKLKLELDFDSHGISQVQVVLFGFQDAVNKVLRNHNIKPHWMFALDSIIRKAVQTAITILVPELRPHFSLASESDTADQEDLDVEDDHEEQPSNQTVRRPQAVIEDAVATSGVSTLSSTVSHDSQSAHRSLNVQLGRMKIETNRLLEELVRKEKELQALLHRAIEEKDQEIKHLKLKSQPIEIPELPVFHLNSSGTNTEDSELTDWLRVNGADEDTISRFLAEDYTLLDVLYYVTRDDLKCLRLRGGMLCTLWKAIIDFRNKQT
  
Inhibitor
Name:
BDBM503699
Synonyms:
US11034671, Example 93
Type:
Small organic molecule
Emp. Form.:
C24H18F2N6O2
Mol. Mass.:
460.4355
SMILES:
FC(F)c1ccc(cn1)-c1ccc2OC3CC(C3)n3cnnc3-c3cccc(NC(=O)c2c1)n3 |(-9.52,-2.37,;-8.75,-1.04,;-9.52,.3,;-7.21,-1.04,;-6.44,-2.37,;-4.9,-2.37,;-4.13,-1.04,;-4.9,.3,;-6.44,.3,;-2.59,-1.04,;-1.82,-2.37,;-.28,-2.37,;.49,-1.04,;1.98,-.64,;3.06,-1.73,;4.08,-2.88,;5.54,-2.39,;4.52,-1.24,;7.03,-1.99,;8.28,-2.9,;9.52,-1.99,;9.05,-.53,;7.51,-.53,;6.21,.32,;6.6,1.81,;5.51,2.9,;4.03,2.5,;3.63,1.01,;2.14,.61,;.81,1.38,;.41,2.87,;-.28,.3,;-1.82,.3,;4.72,-.08,)|
Structure:
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