Reaction Details |
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Target | Mitogen-activated protein kinase kinase kinase 5 |
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Ligand | BDBM50579553 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2135867 (CHEMBL4845477) |
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IC50 | 3.0±n/a nM |
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Citation | Jones, JH; Xin, Z; Himmelbauer, M; Dechantsreiter, M; Enyedy, I; Hedde, J; Fang, T; Coomaraswamy, J; King, KW; Murugan, P; Santoro, JC; Hesson, T; Walther, DM; Wei, R; Zheng, F; Marcotte, DJ; Spilker, K; Kumar, PR; Liu, Y; Gilfillan, R; Gonzalez-Lopez de Turiso, F Discovery of Potent, Selective, and Brain-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation J Med Chem64:15402-15419 (2021) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Mitogen-activated protein kinase kinase kinase 5 |
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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: | MSTEADEGITFSVPPFAPSGFCTIPEGGICRRGGAAAVGEGEEHQLPPPPPGSFWNVESA
AAPGIGCPAATSSSSATRGRGSSVGGGSRRTTVAYVINEASQGQLVVAESEALQSLREAC
ETVGATLETLHFGKLDFGETTVLDRFYNADIAVVEMSDAFRQPSLFYHLGVRESFSMANN
IILYCDTNSDSLQSLKEIICQKNTMCTGNYTFVPYMITPHNKVYCCDSSFMKGLTELMQP
NFELLLGPICLPLVDRFIQLLKVAQASSSQYFRESILNDIRKARNLYTGKELAAELARIR
QRVDNIEVLTADIVINLLLSYRDIQDYDSIVKLVETLEKLPTFDLASHHHVKFHYAFALN
RRNLPGDRAKALDIMIPMVQSEGQVASDMYCLVGRIYKDMFLDSNFTDTESRDHGASWFK
KAFESEPTLQSGINYAVLLLAAGHQFESSFELRKVGVKLSSLLGKKGNLEKLQSYWEVGF
FLGASVLANDHMRVIQASEKLFKLKTPAWYLKSIVETILIYKHFVKLTTEQPVAKQELVD
FWMDFLVEATKTDVTVVRFPVLILEPTKIYQPSYLSINNEVEEKTISIWHVLPDDKKGIH
EWNFSASSVRGVSISKFEERCCFLYVLHNSDDFQIYFCTELHCKKFFEMVNTITEEKGRS
TEEGDCESDLLEYDYEYDENGDRVVLGKGTYGIVYAGRDLSNQVRIAIKEIPERDSRYSQ
PLHEEIALHKHLKHKNIVQYLGSFSENGFIKIFMEQVPGGSLSALLRSKWGPLKDNEQTI
GFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISDFGTSKRLAGINPCTETFT
GTLQYMAPEIIDKGPRGYGKAADIWSLGCTIIEMATGKPPFYELGEPQAAMFKVGMFKVH
PEIPESMSAEAKAFILKCFEPDPDKRACANDLLVDEFLKVSSKKKKTQPKLSALSAGSNE
YLRSISLPVPVLVEDTSSSSEYGSVSPDTELKVDPFSFKTRAKSCGERDVKGIRTLFLGI
PDENFEDHSAPPSPEEKDSGFFMLRKDSERRATLHRILTEDQDKIVRNLMESLAQGAEEP
KLKWEHITTLIASLREFVRSTDRKIIATTLSKLKLELDFDSHGISQVQVVLFGFQDAVNK
VLRNHNIKPHWMFALDSIIRKAVQTAITILVPELRPHFSLASESDTADQEDLDVEDDHEE
QPSNQTVRRPQAVIEDAVATSGVSTLSSTVSHDSQSAHRSLNVQLGRMKIETNRLLEELV
RKEKELQALLHRAIEEKDQEIKHLKLKSQPIEIPELPVFHLNSSGTNTEDSELTDWLRVN
GADEDTISRFLAEDYTLLDVLYYVTRDDLKCLRLRGGMLCTLWKAIIDFRNKQT
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BDBM50579553 |
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n/a |
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Name | BDBM50579553 |
Synonyms: | CHEMBL4860819 |
Type | Small organic molecule |
Emp. Form. | C16H16F3N7O2 |
Mol. Mass. | 395.3391 |
SMILES | COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F |r| |
Structure |
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