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Target
Mitogen-activated protein kinase kinase kinase 5
Ligand
BDBM503679
Substrate
n/a
Meas. Tech.
Biochemical Assay
Kd
<100±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:
BDBM503679
Synonyms:
US11034671, Example 71
Type:
Small organic molecule
Emp. Form.:
C26H24N6O2
Mol. Mass.:
452.5078
SMILES:
Cc1ccc(cn1)-c1ccc2OC3CC[C@@H](CC3)n3cnnc3-c3cccc(NC(=O)c2c1)n3 |r,wU:15.19,(-8.52,1.54,;-7.19,.77,;-7.19,-.77,;-5.85,-1.54,;-4.52,-.77,;-4.52,.77,;-5.85,1.54,;-3.19,-1.54,;-3.19,-3.08,;-1.85,-3.85,;-.52,-3.08,;.82,-3.85,;2.15,-3.08,;3.48,-3.85,;4.82,-3.08,;4.82,-1.54,;3.48,-.77,;2.15,-1.54,;6.15,-.77,;7.61,-1.25,;8.52,,;7.61,1.25,;6.15,.77,;4.82,1.54,;4.82,3.08,;3.48,3.85,;2.15,3.08,;2.15,1.54,;.82,.77,;.82,-.77,;2.36,-.77,;-.52,-1.54,;-1.85,-.77,;3.48,.77,)|
Structure:
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