Reaction Details Report a problem with these data
Target
Plasmepsin IX
Ligand
BDBM50595792
Substrate
n/a
Meas. Tech.
ChEMBL_2218028 (CHEMBL5131160)
IC50
4.5±n/a nM
Citation
 de Lera Ruiz, M; Favuzza, P; Guo, Z; Zhao, L; Hu, B; Lei, Z; Zhan, D; Murgolo, N; Boyce, CW; Vavrek, M; Thompson, J; Ngo, A; Jarman, KE; Robbins, J; Boddey, J; Sleebs, BE; Lowes, KN; Cowman, AF; Olsen, DB; McCauley, JA The Invention of WM382, a Highly Potent PMIX/X Dual Inhibitor toward the Treatment of Malaria. ACS Med Chem Lett 13:1745-1754 (2022) [PubMed] 
Target
Name:
Plasmepsin IX
Synonyms:
3.4.23.- | PLM9_PLAF7 | PMIX | PfPMIX | Plasmepsin 9
Type:
PROTEIN
Mol. Mass.:
74220.96
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
ChEMBL_120775
Residue:
627
Sequence:
MFFINFKKIKKKQFPIYLTQHRIITVFLIFIYFINLKDCFHINNSRILSDVDKHRGLYYNIPKCNVCHKCSICTHENGEAQNVIPMVAIPSKRKHIQDINKEREENKYPLHIFEEKDIYNNKDNVVKKEDIYKLRKKKKQKKNCLNFLEKDTMFLSPSHDKETFHINHMNKIKDEKYKQEYEEEKEIYDNTNTSQEKNETNNEQNLNINLINNDKVTLPLQQLEDSQYVGYIQIGTPPQTIRPIFDTGSTNIWIVSTKCKDETCLKVHRYNHKLSSSFKYYEPHTNLDIMFGTGIIQGVIGVETFKIGPFEIKNQSFGLVKREKASDNKSNVFERINFEGIVGLAFPEMLSTGKSTLYENLMSSYKLQHNEFSIYIGKDSKYSALIFGGVDKNFFEGDIYMFPVVKEYYWEIHFDGLYIDHQKFCCGVNSIVYDLKKKDQENNKLFFTRKYFRKNKFKTHLRKYLLKKIKHQKKQKHSNHKKKKLNKKKNYLIFDSGTSFNSVPKDEIEYFFRVVPSKKCDDSNIDQVVSSYPNLTYVINKMPFTLTPSQYLVRKNDMCKPAFMEIEVSSEYGHAYILGNATFMRYYYTVYRRGNNNNSSYVGIAKAVHTEENEKYLSSLHNKINNL
  
Inhibitor
Name:
BDBM50595792
Synonyms:
CHEMBL5182418
Type:
Small organic molecule
Emp. Form.:
C28H36N4O3
Mol. Mass.:
476.6104
SMILES:
CCC[C@@H](N1C(=O)CC(CC)(CC)NC1=N)c1cccc(c1)C(=O)N[C@H]1CCOc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: