Reaction Details Report a problem with these data
Target
Plasmepsin I
Ligand
BDBM50461473
Substrate
n/a
Meas. Tech.
ChEMBL_1856928 (CHEMBL4357657)
IC50
50±n/a nM
Citation
 Cheuka, PM; Dziwornu, G; Okombo, J; Chibale, K Plasmepsin Inhibitors in Antimalarial Drug Discovery: Medicinal Chemistry and Target Validation (2000 to Present). J Med Chem 63:4445-4467 (2020) [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:
BDBM50461473
Synonyms:
CHEMBL4225824
Type:
Small organic molecule
Emp. Form.:
C27H33N3O4
Mol. Mass.:
463.5686
SMILES:
CCCCCc1ccc(cc1)-c1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O
Structure:
Search PDB for entries with ligand similarity: