Reaction Details Report a problem with these data
Target
Plasmepsin I
Ligand
BDBM8022
Substrate
Peptide Substrate
Meas. Tech.
Enzyme Inhibition Measurements
pH
4.5±n/a
Temperature
295.15±n/a K
Ki
>2000±n/a nM
Citation
 Noteberg, D; Hamelink, E; Hulten, J; Wahlgren, M; Vrang, L; Samuelsson, B; Hallberg, A Design and synthesis of plasmepsin I and plasmepsin II inhibitors with activity in Plasmodium falciparum-infected cultured human erythrocytes. J Med Chem 46:734-46 (2003) [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:
BDBM8022
Synonyms:
(2S)-N-[(2S,3S)-4-{[(S)-carbamoyl(phenyl)methyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-(pyridin-2-ylformamido)butanamide | (2S,5S,6R)-3-Aza-5-hydroxy-2,7-diphenyl-6-[(picolyl-L-valinyl)amino]-heptanoyl Amide | hydroxyethylamine-based inhibitor 11c
Type:
Small organic molecule
Emp. Form.:
C29H35N5O4
Mol. Mass.:
517.6193
SMILES:
CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H](C(N)=O)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
3501.67
Organism:
n/a
Description:
n/a
Residue:
31
Sequence:
DACYLGLARGNLEPHELESERPHEPREDANS