Reaction Details Report a problem with these data
Target
ALK tyrosine kinase receptor
Ligand
BDBM436050
Substrate
n/a
Meas. Tech.
Enzyme activity inhibition IC50 evaluation experiment of Anaplastic Lymphoma Kinase ALK
IC50
14.0±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  US10611770 Publication Date 4/7/2020 
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:
BDBM436050
Synonyms:
7-(2,3-Dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-(piperidin-4-yl)phenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine | US10611770, Compound 3
Type:
Small organic molecule
Emp. Form.:
C27H31N5O3S2
Mol. Mass.:
537.697
SMILES:
COc1cc(ccc1Nc1ncc2sc(C)c(-c3ccccc3N(C)S(C)(=O)=O)c2n1)C1CCNCC1 |(.99,-10.95,;-.34,-10.18,;-.34,-8.64,;.99,-7.87,;.99,-6.33,;-.34,-5.56,;-1.68,-6.33,;-1.68,-7.87,;-3.01,-8.64,;-4.34,-7.87,;-4.34,-6.33,;-5.68,-5.56,;-7.01,-6.33,;-8.47,-5.86,;-9.38,-7.1,;-10.92,-7.1,;-8.47,-8.35,;-8.95,-9.81,;-10.46,-10.13,;-10.93,-11.6,;-9.9,-12.74,;-8.4,-12.42,;-7.92,-10.96,;-6.41,-10.64,;-5.94,-9.17,;-5.38,-11.78,;-4.35,-12.93,;-5.86,-13.25,;-3.88,-11.46,;-7.01,-7.87,;-5.68,-8.64,;2.33,-5.56,;3.66,-6.33,;5.64,-5.65,;5.87,-3.51,;3.9,-2.65,;2.33,-4.02,)|
Structure:
Search PDB for entries with ligand similarity: