Reaction Details Report a problem with these data
Target
Glycogen synthase kinase 3
Ligand
BDBM50590018
Substrate
n/a
Meas. Tech.
ChEMBL_2194682 (CHEMBL5107042)
IC50
97±n/a nM
Citation
 Galal, KA; Truong, A; Kwarcinski, F; de Silva, C; Avalani, K; Havener, TM; Chirgwin, ME; Merten, E; Ong, HW; Willis, C; Abdelwaly, A; Helal, MA; Derbyshire, ER; Zutshi, R; Drewry, DH Identification of Novel 2,4,5-Trisubstituted Pyrimidines as Potent Dual Inhibitors of Plasmodial  J Med Chem 65:13172-13197 (2022) [PubMed]  Article 
Target
Name:
Glycogen synthase kinase 3
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
51607.56
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
ChEMBL_749959
Residue:
440
Sequence:
MKNWPIDEDINIYEEKNHTNNKNYVNNFEMSDQKDEEEYSHSSNRSEDEDEERTIDNEINRSPNKSYKLGNIIGNGSFGVVYEAICIDTSEQVAIKKVLQDPQYKNRELMIMKNLNHINIIYLKDYYYTESFKKNEKNIFLNVVMEYIPQTVHKYMKYYSRNNQALPMFLVKLYSYQLCRALSYIHSKFICHRDLKPQNLLIDPRTHTLKLCDFGSAKNLLAGQRSVSYICSRFYRAPELMLGSTNYTTHIDLWSLGCIIAEMILGYPIFSGQSSVDQLVRIIQVLGTPTEDQLKEMNPNYADIKFPDVKSKDLRKVFPKGTPDEAINLITQFLKYEPLKRLNPIEALADPFFDELRDPCIKLPKYIDKLPELFNFCKEEIQEMSMECRRKIIPKNVYEEFLMVDENDNNIINDTISNDFNESNLDTNNSNNKTHVIIES
  
Inhibitor
Name:
BDBM50590018
Synonyms:
CHEMBL5186081
Type:
Small organic molecule
Emp. Form.:
C22H23Cl2N5O2S
Mol. Mass.:
492.421
SMILES:
Clc1ccc(s1)-c1nc(Nc2ccc(cc2)C(=O)NCCCN2CCOCC2)ncc1Cl
Structure:
Search PDB for entries with ligand similarity: