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Target
Glycogen synthase kinase 3
Ligand
BDBM50175688
Substrate
n/a
Meas. Tech.
ChEMBL_2194682 (CHEMBL5107042)
IC50
570±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:
BDBM50175688
Synonyms:
(4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone | CHEMBL200027 | IKK-16
Type:
Small organic molecule
Emp. Form.:
C28H29N5OS
Mol. Mass.:
483.628
SMILES:
O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
Structure:
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