Reaction Details  Report a problem with these data
Target
Glycogen synthase kinase-3
Ligand
BDBM50424226
Substrate
n/a
Meas. Tech.
ChEMBL_934470 (CHEMBL2321417)
IC50
>100000±n/a nM
Citation
 Fugel, W; Oberholzer, AE; Gschloessl, B; Dzikowski, R; Pressburger, N; Preu, L; Pearl, LH; Baratte, B; Ratin, M; Okun, I; Doerig, C; Kruggel, S; Lemcke, T; Meijer, L; Kunick, C 3,6-Diamino-4-(2-halophenyl)-2-benzoylthieno[2,3-b]pyridine-5-carbonitriles are selective inhibitors of Plasmodium falciparum glycogen synthase kinase-3. J Med Chem 56:264-75 (2013) [PubMed]  Article
Target
Name:
Glycogen synthase kinase-3
Synonyms:
GSK-3 | GSK3_DICDI | gsk3 | gskA
Type:
PROTEIN
Mol. Mass.:
51493.86
Organism:
Dictyostelium discoideum
Description:
ChEMBL_934470
Residue:
467
Sequence:
MSSKDQILEKDKKETDDNGNKKTTTTTSSSSSSSSSSKPRSNKFDKVIIKSNGVCYITEGVIGNGSFGVVTQAIVADTKEVVAIKKVLQDQRYKNRELQIMKMLNHINIVSLKNSFYTSDNDEVYLNLVLEYVPDTVYRVSRHYSMSKQPVPNIFVKLYIYQLCRSINYIHSLGICHRDIKPQNLLLDTSTSTLKLCDFGSAKILIKGETNVSYICSRHYRAPELIFGSTNYTTTIDVWSLGCVLAELLLGQPLFPGENGIDQLVEIIKVLGTPTKEQIHAMNPYYTSFKFPEIKANPWPRVFKAKDVPAESIDLISKILLYDPSSRLKPVEICAHPFFDELRDPKTCLPDGKPLPPLFNFTIAEQTSIGPKLAKTLIPSHAMNQIELPSPLFPNLAISSSNQSSSSNSNANVSSNLNSHSASPSTTSSSSSTPNSIPVQSPSTTNTTSSTTNNTTTTTTTTTTSNH
  
Inhibitor
Name:
BDBM50424226
Synonyms:
CHEMBL2314102
Type:
Small organic molecule
Emp. Form.:
C22H16N4O2S
Mol. Mass.:
400.453
SMILES:
COc1ccccc1-c1c(C#N)c(N)nc2sc(C(=O)c3ccccc3)c(N)c12 |(2.87,-6.42,;4.21,-7.18,;5.54,-6.4,;5.53,-4.87,;6.86,-4.1,;8.2,-4.85,;8.2,-6.39,;6.87,-7.16,;6.87,-8.7,;5.54,-9.47,;4.21,-8.69,;2.87,-7.92,;5.54,-11.02,;4.21,-11.79,;6.87,-11.79,;8.21,-11.02,;9.68,-11.5,;10.59,-10.24,;12.13,-10.24,;12.9,-8.91,;12.91,-11.57,;12.13,-12.91,;12.9,-14.24,;14.44,-14.24,;15.21,-12.89,;14.44,-11.57,;9.68,-8.99,;10.16,-7.52,;8.21,-9.47,)|
Structure:
Search PDB for entries with ligand similarity: