Reaction Details Report a problem with these data
Target
Plasmepsin I
Ligand
BDBM50461477
Substrate
n/a
Meas. Tech.
ChEMBL_1771432 (CHEMBL4223544)
IC50
2000±n/a nM
Citation
 Rasina, D; Stakanovs, G; Borysov, OV; Pantelejevs, T; Bobrovs, R; Kanepe-Lapsa, I; Tars, K; Jaudzems, K; Jirgensons, A 2-Aminoquinazolin-4(3H)-one based plasmepsin inhibitors with improved hydrophilicity and selectivity. Bioorg Med Chem 26:2488-2500 (2018) [PubMed]  Article 
Target
Name:
Plasmepsin I
Synonyms:
PFAPG | PLM1_PLAFX | PMI | Plasmepsin 1 | Plasmepsin-1 precursor
Type:
Enzyme
Mol. Mass.:
51463.30
Organism:
Plasmodium falciparum
Description:
n/a
Residue:
452
Sequence:
MALSIKEDFSSAFAKNESAVNSSTFNNNMKTWKIQKRFQILYVFFFLLITGALFYYLIDNVLFPKNKKINEIMNTSKHVIIGFSIENSHDRIMKTVKQHRLKNYIKESLKFFKTGLTQKPHLGNAGDSVTLNDVANVMYYGEAQIGDNKQKFAFIFDTGSANLWVPSAQCNTIGCKTKNLYDSNKSKTYEKDGTKVEMNYVSGTVSGFFSKDIVTIANLSFPYKFIEVTDTNGFEPAYTLGQFDGIVGLGWKDLSIGSVDPVVVELKNQNKIEQAVFTFYLPFDDKHKGYLTIGGIEDRFYEGQLTYEKLNHDLYWQVDLDLHFGNLTVEKATAIVDSGTSSITAPTEFLNKFFEGLDVVKIPFLPLYITTCNNPKLPTLEFRSATNVYTLEPEYYLQQIFDFGISLCMVSIIPVDLNKNTFILGDPFMRKYFTVFDYDNHTVGFALAKKKL
  
Inhibitor
Name:
BDBM50461477
Synonyms:
CHEMBL4228633
Type:
Small organic molecule
Emp. Form.:
C25H24N4O2
Mol. Mass.:
412.4837
SMILES:
Nc1cccc(c1)-c1cc(cc2nc(N)n(CC3CCCO3)c(=O)c12)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: