Reaction Details Report a problem with these data
Target
ALK tyrosine kinase receptor
Ligand
BDBM376998
Substrate
n/a
Meas. Tech.
Enzyme Activity Inhibition IC50 Evaluation
IC50
2.10±n/a nM
Citation
 Zhang, N; Xu, Z; Wang, T; Wang, Y Condensed-ring pyrimidylamino derivative, preparation method therefor, and intermediate, pharmaceutical composition and applications thereof US Patent  US10259816 Publication Date 4/16/2019 
Target
Name:
ALK tyrosine kinase receptor
Synonyms:
ALK | ALK tyrosine kinase receptor (ALK) | ALK_HUMAN | Anaplastic lymphoma kinase | CD_antigen: CD246
Type:
Protein
Mol. Mass.:
176453.10
Organism:
Homo sapiens (Human)
Description:
Q9UM73
Residue:
1620
Sequence:
MGAIGLLWLLPLLLSTAAVGSGMGTGQRAGSPAAGPPLQPREPLSYSRLQRKSLAVDFVVPSLFRVYARDLLLPPSSSELKAGRPEARGSLALDCAPLLRLLGPAPGVSWTAGSPAPAEARTLSRVLKGGSVRKLRRAKQLVLELGEEAILEGCVGPPGEAAVGLLQFNLSELFSWWIRQGEGRLRIRLMPEKKASEVGREGRLSAAIRASQPRLLFQIFGTGHSSLESPTNMPSPSPDYFTWNLTWIMKDSFPFLSHRSRYGLECSFDFPCELEYSPPLHDLRNQSWSWRRIPSEEASQMDLLDGPGAERSKEMPRGSFLLLNTSADSKHTILSPWMRSSSEHCTLAVSVHRHLQPSGRYIAQLLPHNEAAREILLMPTPGKHGWTVLQGRIGRPDNPFRVALEYISSGNRSLSAVDFFALKNCSEGTSPGSKMALQSSFTCWNGTVLQLGQACDFHQDCAQGEDESQMCRKLPVGFYCNFEDGFCGWTQGTLSPHTPQWQVRTLKDARFQDHQDHALLLSTTDVPASESATVTSATFPAPIKSSPCELRMSWLIRGVLRGNVSLVLVENKTGKEQGRMVWHVAAYEGLSLWQWMVLPLLDVSDRFWLQMVAWWGQGSRAIVAFDNISISLDCYLTISGEDKILQNTAPKSRNLFERNPNKELKPGENSPRQTPIFDPTVHWLFTTCGASGPHGPTQAQCNNAYQNSNLSVEVGSEGPLKGIQIWKVPATDTYSISGYGAAGGKGGKNTMMRSHGVSVLGIFNLEKDDMLYILVGQQGEDACPSTNQLIQKVCIGENNVIEEEIRVNRSVHEWAGGGGGGGGATYVFKMKDGVPVPLIIAAGGGGRAYGAKTDTFHPERLENNSSVLGLNGNSGAAGGGGGWNDNTSLLWAGKSLQEGATGGHSCPQAMKKWGWETRGGFGGGGGGCSSGGGGGGYIGGNAASNNDPEMDGEDGVSFISPLGILYTPALKVMEGHGEVNIKHYLNCSHCEVDECHMDPESHKVICFCDHGTVLAEDGVSCIVSPTPEPHLPLSLILSVVTSALVAALVLAFSGIMIVYRRKHQELQAMQMELQSPEYKLSKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKVPVRPKDPEGVPPLLVSQQAKREEERSPAAPPPLPTTSSGKAAKKPTAAEISVRVPRGPAVEGGHVNMAFSQSNPPSELHKVHGSRNKPTSLWNPTYGSWFTEKPTKKNNPIAKKEPHDRGNLGLEGSCTVPPNVATGRLPGASLLLEPSSLTANMKEVPLFRLRHFPCGNVNYGYQQQGLPLEAATAPGAGHYEDTILKSKNSMNQPGP
  
Inhibitor
Name:
BDBM376998
Synonyms:
4-[7-({7-[2-Methoxy-4-trifluoromethylphenyl]-6-methylthieno[3,2-d]pyrimidin-2-yl}amino)-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol | US10259816, Compound 17
Type:
Small organic molecule
Emp. Form.:
C33H35F3N4O5S
Mol. Mass.:
656.715
SMILES:
COc1cc(ccc1-c1c(C)sc2cnc(Nc3ccc(C4CCN(CC4O)C(=O)OC(C)(C)C)c4CCOc34)nc12)C(F)(F)F |(-11,-27.16,;-9.49,-26.84,;-8.46,-27.98,;-8.94,-29.44,;-7.92,-30.64,;-6.4,-30.27,;-5.93,-28.8,;-6.96,-27.66,;-6.48,-26.2,;-7.39,-24.95,;-8.93,-24.95,;-6.48,-23.7,;-5.02,-24.18,;-3.68,-23.41,;-2.35,-24.18,;-2.35,-25.72,;-1.01,-26.49,;.32,-25.72,;.32,-24.18,;1.65,-23.41,;2.99,-24.18,;4.32,-23.41,;4.32,-21.87,;5.7,-21.02,;7.03,-21.83,;7.03,-23.44,;5.65,-24.18,;5.65,-25.72,;8.38,-21.07,;8.39,-19.53,;9.7,-21.86,;11.04,-21.1,;12.39,-20.35,;11.8,-22.45,;10.29,-19.76,;2.99,-25.72,;4.13,-26.75,;3.5,-28.16,;1.97,-28,;1.65,-26.49,;-3.68,-26.49,;-5.02,-25.72,;-8.4,-32.11,;-8.88,-33.57,;-6.94,-32.58,;-9.86,-31.63,)|
Structure:
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