Reaction Details Report a problem with these data
Target
ALK tyrosine kinase receptor
Ligand
BDBM436056
Substrate
n/a
Meas. Tech.
Enzyme activity inhibition IC50 evaluation experiment of Anaplastic Lymphoma Kinase ALK
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  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:
BDBM436056
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 | US10611770, Compound 17
Type:
Small organic molecule
Emp. Form.:
C28H27F3N4O3S
Mol. Mass.:
556.599
SMILES:
COc1cc(ccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4O)c4CCOc34)nc12)C(F)(F)F |(-15.66,-16,;-13.93,-15.63,;-12.76,-16.94,;-13.23,-18.4,;-12.39,-20.13,;-10.7,-19.23,;-10.22,-17.76,;-11.25,-16.62,;-10.77,-15.15,;-11.68,-13.91,;-13.22,-13.91,;-10.77,-12.66,;-9.31,-13.14,;-7.98,-12.37,;-6.64,-13.14,;-6.64,-14.68,;-5.31,-15.45,;-3.97,-14.68,;-3.97,-13.14,;-2.64,-12.37,;-1.31,-13.14,;.03,-12.37,;.03,-10.83,;1.53,-9.61,;3.32,-10.45,;3.21,-12.44,;1.36,-13.14,;1.36,-14.68,;-1.31,-14.68,;-.16,-15.71,;-.79,-17.11,;-2.32,-16.95,;-2.64,-15.45,;-7.98,-15.45,;-9.31,-14.68,;-12.98,-21.94,;-13.56,-23.74,;-14.78,-21.35,;-11.18,-22.52,)|
Structure:
Search PDB for entries with ligand similarity: