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Target
ALK tyrosine kinase receptor
Ligand
BDBM50448785
Substrate
n/a
Meas. Tech.
ChEMBL_1876846 (CHEMBL4378240)
IC50
0.800000±n/a nM
Citation
 Kong, X; Pan, P; Sun, H; Xia, H; Wang, X; Li, Y; Hou, T Drug Discovery Targeting Anaplastic Lymphoma Kinase (ALK). J Med Chem 62:10927-10954 (2019) [PubMed]  Article 
Target
Name:
ALK tyrosine kinase receptor
Synonyms:
ALK_MOUSE | Alk | Anaplastic lymphoma kinase | CD_antigen=CD246
Type:
PROTEIN
Mol. Mass.:
174957.04
Organism:
Mus musculus
Description:
ChEMBL_820924
Residue:
1621
Sequence:
MGAAGFLWLLPPLLLAAASYSGAATDQRAGSPASGPPLQPREPLSYSRLQRKSLAVDFVVPSLFRVYARDLLLPQPRSPSEPEAGGLEARGSLALDCEPLLRLLGPLPGISWADGASSPSPEAGPTLSRVLKGGSVRKLRRAKQLVLELGEETILEGCIGPPEEVAAVGILQFNLSELFSWWILHGEGRLRIRLMPEKKASEVGREGRLSSAIRASQPRLLFQIFGTGHSSMESPSETPSPPGTFMWNLTWTMKDSFPFLSHRSRYGLECSFDFPCELEYSPPLHNHGNQSWSWRHVPSEEASRMNLLDGPEAEHSQEMPRGSFLLLNTSADSKHTILSPWMRSSSDHCTLAVSVHRHLQPSGRYVAQLLPHNEAGREILLVPTPGKHGWTVLQGRVGRPANPFRVALEYISSGNRSLSAVDFFALKNCSEGTSPGSKMALQSSFTCWNGTVLQLGQACDFHQDCAQGEDEGQLCSKLPAGFYCNFENGFCGWTQSPLSPHMPRWQVRTLRDAHSQGHQGRALLLSTTDILASEGATVTSATFPAPMKNSPCELRMSWLIRGVLRGNVSLVLVENKTGKEQSRTVWHVATDEGLSLWQHTVLSLLDVTDRFWLQIVTWWGPGSRATVGFDNISISLDCYLTISGEEKMSLNSVPKSRNLFEKNPNKESKSWANISGPTPIFDPTVHWLFTTCGASGPHGPTQAQCNNAYQNSNLSVVVGSEGPLKGVQIWKVPATDTYSISGYGAAGGKGGKNTMMRSHGVSVLGIFNLEKGDTLYILVGQQGEDACPRANQLIQKVCVGENNVIEEEIRVNRSVHEWAGGGGGGGGATYVFKMKDGVPVPLIIAAGGGGRAYGAKTETFHPERLESNSSVLGLNGNSGAAGGGGGWNDNTSLLWAGKSLLEGAAGGHSCPQAMKKWGWETRGGFGGGGGGCSSGGGGGGYIGGNAASNNDPEMDGEDGVSFISPLGILYTPALKVMEGHGEVNIKHYLNCSHCEVDECHMDPESHKVICFCDHGTVLADDGVSCIVSPTPEPHLPLSLILSVVTSALVAALVLAFSGIMIVYRRKHQELQAMQMELQSPEYKLSKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQALPRFILLELMAGGDLKSFLRETRPRPNQPTSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGAGRIAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPVVEEEEKVPMRPKDPEGMPPLLVSPQPAKHEEASAAPQPAALTAPGPSVKKPPGAGAGAGAGAGAGPVPRGAADRGHVNMAFSQPNPPPELHKGPGSRNKPTSLWNPTYGSWFTEKPAKKTHPPPGAEPQARAGAAEGGWTGPGAGPRRAEAALLLEPSALSATMKEVPLFRLRHFPCGNVNYGYQQQGLPLEATAAPGDTMLKSKNKVTQPGP
  
Inhibitor
Name:
BDBM50448785
Synonyms:
CHEMBL3128069
Type:
Small organic molecule
Emp. Form.:
C22H23FN6O3S
Mol. Mass.:
470.52
SMILES:
C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1 |r|
Structure:
Search PDB for entries with ligand similarity: