Reaction Details Report a problem with these data
Target
Plasmepsin I
Ligand
BDBM50169109
Substrate
n/a
Meas. Tech.
ChEMBL_302875 (CHEMBL828789)
Ki
1±n/a nM
Citation
 Johansson, PO; Lindberg, J; Blackman, MJ; Kvarnström, I; Vrang, L; Hamelink, E; Hallberg, A; Rosenquist, A; Samuelsson, B Design and synthesis of potent inhibitors of plasmepsin I and II: X-ray crystal structure of inhibitor in complex with plasmepsin II. J Med Chem 48:4400-9 (2005) [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:
BDBM50169109
Synonyms:
CHEMBL190290 | Pyridine-2-carboxylic acid ((S)-1-{(1S,2S)-1-(3-bromo-benzyloxymethyl)-3-[(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-amide
Type:
Small organic molecule
Emp. Form.:
C32H45BrN6O7
Mol. Mass.:
705.64
SMILES:
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1cccc(Br)c1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Structure:
Search PDB for entries with ligand similarity: