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TargetALK tyrosine kinase receptor
LigandBDBM50396241
Substrate/Competitorn/a
Meas. Tech.ChEMBL_863887
IC50 1.9±n/a nM
Citation Lewis RTBode CMChoquette DMPotashman MRomero KStellwagen JCTeffera YMoore EWhittington DAChen HEpstein LFEmkey RAndrews PSYu VLSaffran DCXu MDrew AMerkel PSzilvassy SBrake RL The discovery and optimization of a novel class of potent, selective, and orally bioavailable anaplastic lymphoma kinase (ALK) inhibitors with potential utility for the treatment of cancer. J Med Chem 55:6523-40 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
ALK tyrosine kinase receptor
Name:ALK tyrosine kinase receptor
Synonyms:ALK | ALK tyrosine kinase receptor (ALK) | Anaplastic lymphoma kinase | CD_antigen: CD246
Type:Protein
Mol. Mass.:176453.10
Organism:Homo sapiens (Human)
Description:Q9UM73
Residue:1620
Sequence:
MGAIGLLWLLPLLLSTAAVGSGMGTGQRAGSPAAGPPLQPREPLSYSRLQRKSLAVDFVV
PSLFRVYARDLLLPPSSSELKAGRPEARGSLALDCAPLLRLLGPAPGVSWTAGSPAPAEA
RTLSRVLKGGSVRKLRRAKQLVLELGEEAILEGCVGPPGEAAVGLLQFNLSELFSWWIRQ
GEGRLRIRLMPEKKASEVGREGRLSAAIRASQPRLLFQIFGTGHSSLESPTNMPSPSPDY
FTWNLTWIMKDSFPFLSHRSRYGLECSFDFPCELEYSPPLHDLRNQSWSWRRIPSEEASQ
MDLLDGPGAERSKEMPRGSFLLLNTSADSKHTILSPWMRSSSEHCTLAVSVHRHLQPSGR
YIAQLLPHNEAAREILLMPTPGKHGWTVLQGRIGRPDNPFRVALEYISSGNRSLSAVDFF
ALKNCSEGTSPGSKMALQSSFTCWNGTVLQLGQACDFHQDCAQGEDESQMCRKLPVGFYC
NFEDGFCGWTQGTLSPHTPQWQVRTLKDARFQDHQDHALLLSTTDVPASESATVTSATFP
APIKSSPCELRMSWLIRGVLRGNVSLVLVENKTGKEQGRMVWHVAAYEGLSLWQWMVLPL
LDVSDRFWLQMVAWWGQGSRAIVAFDNISISLDCYLTISGEDKILQNTAPKSRNLFERNP
NKELKPGENSPRQTPIFDPTVHWLFTTCGASGPHGPTQAQCNNAYQNSNLSVEVGSEGPL
KGIQIWKVPATDTYSISGYGAAGGKGGKNTMMRSHGVSVLGIFNLEKDDMLYILVGQQGE
DACPSTNQLIQKVCIGENNVIEEEIRVNRSVHEWAGGGGGGGGATYVFKMKDGVPVPLII
AAGGGGRAYGAKTDTFHPERLENNSSVLGLNGNSGAAGGGGGWNDNTSLLWAGKSLQEGA
TGGHSCPQAMKKWGWETRGGFGGGGGGCSSGGGGGGYIGGNAASNNDPEMDGEDGVSFIS
PLGILYTPALKVMEGHGEVNIKHYLNCSHCEVDECHMDPESHKVICFCDHGTVLAEDGVS
CIVSPTPEPHLPLSLILSVVTSALVAALVLAFSGIMIVYRRKHQELQAMQMELQSPEYKL
SKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPN
DPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMA
GGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCP
GPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLW
EIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIIL
ERIEYCTQDPDVINTALPIEYGPLVEEEEKVPVRPKDPEGVPPLLVSQQAKREEERSPAA
PPPLPTTSSGKAAKKPTAAEISVRVPRGPAVEGGHVNMAFSQSNPPSELHKVHGSRNKPT
SLWNPTYGSWFTEKPTKKNNPIAKKEPHDRGNLGLEGSCTVPPNVATGRLPGASLLLEPS
SLTANMKEVPLFRLRHFPCGNVNYGYQQQGLPLEAATAPGAGHYEDTILKSKNSMNQPGP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50396241
n/a
NameBDBM50396241
Synonyms:CHEMBL2172310
TypeSmall organic molecule
Emp. Form.C32H42FN5O3
Mol. Mass.563.706
SMILESCC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(C3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(22.58,-40.66,;21.08,-40.34,;20.6,-38.88,;20.05,-41.49,;18.54,-41.17,;17.51,-42.32,;18.06,-39.71,;16.56,-39.39,;16.08,-37.93,;17.11,-36.79,;18.61,-37.09,;19.09,-38.56,;16.62,-35.33,;17.53,-34.07,;19.07,-34.06,;19.83,-32.72,;19.05,-31.39,;21.37,-32.71,;22.14,-34.04,;23.68,-34.03,;24.45,-32.69,;25.99,-32.68,;23.66,-31.36,;22.12,-31.37,;16.61,-32.82,;15.14,-33.3,;13.8,-32.54,;12.47,-33.31,;12.47,-34.86,;11.14,-35.62,;9.8,-34.85,;9.65,-33.33,;8.14,-33,;7.37,-34.34,;8.4,-35.48,;5.84,-34.49,;5.83,-36.03,;4.5,-35.26,;4.94,-33.25,;13.8,-35.63,;15.15,-34.86,)|
Structure
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