Target
ALK tyrosine kinase receptor
Ligand
BDBM376999
Substrate
n/a
Meas. Tech.
Enzyme Activity Inhibition IC50 Evaluation
IC50
9.10±n/a nM
Citation
 Zhang, NXu, ZWang, TWang, 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:
BDBM376999
Synonyms:
7-[2-Methoxy-4-trifluoromethylphenyl]-6-methyl-N-[4-(piperidin-4-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-2-amine | US10259816, Compound 18 | US10611770, Compound 18
Type:
Small organic molecule
Emp. Form.:
C28H27F3N4O2S
Mol. Mass.:
540.6
SMILES:
COc1cc(ccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)c4CCOc34)nc12)C(F)(F)F |(-12.71,1.09,;-11.2,1.41,;-10.17,.27,;-10.65,-1.2,;-9.62,-2.34,;-8.11,-2.02,;-7.63,-.55,;-8.66,.59,;-8.19,2.05,;-9.09,3.3,;-10.63,3.3,;-8.19,4.55,;-6.72,4.07,;-5.39,4.84,;-4.06,4.07,;-4.06,2.53,;-2.72,1.76,;-1.39,2.53,;-1.39,4.07,;-.06,4.84,;1.28,4.07,;2.61,4.84,;3.95,4.07,;5.28,4.84,;5.28,6.38,;3.95,7.15,;2.61,6.38,;1.28,2.53,;2.42,1.5,;1.8,.09,;.26,.25,;-.06,1.76,;-5.39,1.76,;-6.72,2.53,;-10.09,-3.8,;-11.6,-4.12,;-9.06,-4.95,;-10.57,-5.27,)|
Structure:
Search PDB for entries with ligand similarity: