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TargetALK tyrosine kinase receptor
LigandBDBM50396267
Substrate/Competitorn/a
Meas. Tech.ChEMBL_863887
IC50 3±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:
BDBM50396267
n/a
NameBDBM50396267
Synonyms:CHEMBL2172301
TypeSmall organic molecule
Emp. Form.C33H43ClFN5O3
Mol. Mass.612.178
SMILESCC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(Cl)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(20.95,-11.71,;19.45,-11.39,;18.97,-9.93,;18.42,-12.54,;16.91,-12.22,;15.88,-13.37,;16.43,-10.76,;14.93,-10.44,;14.45,-8.98,;15.48,-7.84,;16.98,-8.14,;17.46,-9.61,;14.99,-6.38,;15.9,-5.12,;17.44,-5.11,;18.2,-3.77,;17.42,-2.44,;19.74,-3.76,;20.49,-2.42,;22.03,-2.41,;22.79,-1.07,;22.81,-3.74,;22.05,-5.08,;22.83,-6.41,;20.51,-5.09,;14.98,-3.87,;13.51,-4.36,;12.17,-3.59,;10.84,-4.36,;10.84,-5.91,;9.51,-6.67,;8.18,-5.9,;8.18,-4.36,;6.86,-3.59,;5.52,-4.36,;5.52,-5.9,;6.85,-6.68,;4.18,-3.58,;3.41,-2.24,;4.95,-2.23,;2.85,-4.34,;12.18,-6.68,;13.52,-5.91,)|
Structure
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