Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase kinase kinase 5
Ligand
BDBM50243867
Substrate
n/a
Meas. Tech.
ChEMBL_555220 (CHEMBL965357)
Kd
8000±n/a nM
Citation
 Kawaguchi, M; Terai, T; Utata, R; Kato, M; Tsuganezawa, K; Tanaka, A; Kojima, H; Okabe, T; Nagano, T Development of a novel fluorescent probe for fluorescence correlation spectroscopic detection of kinase inhibitors. Bioorg Med Chem Lett 18:3752-5 (2008) [PubMed]  Article 
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:
BDBM50243867
Synonyms:
CHEMBL478889 | STS-PEG-TAMRA
Type:
Small organic molecule
Emp. Form.:
C59H58N7O10
Mol. Mass.:
1025.1322
SMILES:
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C |r,wU:5.5,2.1,3.40,wD:7.8,(-4.83,-31.63,;-3.49,-32.4,;-2.16,-31.63,;-.82,-32.4,;.52,-31.63,;.52,-30.08,;-.82,-29.3,;-2.16,-30.08,;-3.5,-30.83,;-2.48,-28.57,;-3.86,-27.96,;-5.24,-28.64,;-6.53,-27.77,;-6.41,-26.26,;-5.03,-25.58,;-3.75,-26.43,;-2.25,-26.09,;-1.52,-24.75,;-2.01,-23.27,;-.76,-22.33,;.51,-23.24,;1.97,-22.75,;.05,-24.73,;.83,-26.06,;2.34,-26.37,;3.58,-25.46,;4.98,-26.08,;5.15,-27.61,;3.92,-28.52,;2.5,-27.89,;1.1,-28.52,;.08,-27.4,;-1.46,-27.41,;-.82,-33.94,;-2.16,-34.71,;.51,-34.71,;.51,-36.25,;1.85,-33.94,;3.18,-34.71,;4.52,-33.95,;5.85,-34.72,;7.19,-33.95,;8.52,-34.72,;9.86,-33.95,;11.19,-34.73,;12.53,-33.96,;12.53,-32.42,;13.86,-34.73,;13.85,-36.27,;15.19,-37.04,;16.52,-36.27,;16.52,-34.72,;15.19,-33.95,;17.28,-33.37,;16.49,-32.03,;18.83,-33.35,;17.86,-37.04,;19.19,-36.27,;19.18,-34.74,;20.5,-33.97,;21.84,-34.74,;21.84,-36.27,;20.51,-37.04,;20.53,-38.59,;19.19,-39.36,;19.19,-40.89,;17.86,-41.66,;16.52,-40.88,;16.52,-39.34,;17.86,-38.58,;17.86,-43.2,;16.52,-43.98,;19.2,-43.98,;23.17,-33.97,;24.5,-34.73,;23.16,-32.44,)|
Structure:
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