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Target
Mitogen-activated protein kinase kinase kinase 5
Ligand
BDBM410045
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
1.84±0.64 nM
Citation
 Liu, LZ; Zhang, H; Wang, X; Liu, G Cyclobutyl-imidazolidinone compounds US Patent  US10370352 Publication Date 8/6/2019 
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:
BDBM410045
Synonyms:
1-(3-(4-(tert-Butyl)-1H-imidazol-1-yl)cyclobutyl)-3-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)imidazolidin-2-one | US10370352, Example 5
Type:
Small organic molecule
Emp. Form.:
C24H32N8O
Mol. Mass.:
448.5639
SMILES:
CC(C)n1cnnc1-c1cccc(n1)N1CCN(C2CC(C2)n2cnc(c2)C(C)(C)C)C1=O |(5.29,-1.71,;6.78,-2.11,;7.17,-3.6,;7.87,-1.02,;9.35,-1.42,;10.19,-.13,;9.22,1.07,;7.78,.52,;6.45,1.29,;6.45,2.83,;5.12,3.6,;3.78,2.83,;3.78,1.29,;5.12,.52,;2.45,.52,;2.37,-1.02,;.88,-1.42,;.04,-.13,;-1.44,.27,;-2.78,-.5,;-3.55,.83,;-2.21,1.6,;-5.04,1.23,;-5.59,2.67,;-7.13,2.59,;-7.52,1.1,;-6.23,.26,;-8.86,.33,;-10.19,1.1,;-8.86,-1.21,;-10.19,-.44,;1.01,1.07,;.61,2.56,)|
Structure:
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