Reaction Details Report a problem with these data
Target
Plasmepsin I
Ligand
BDBM50200020
Substrate
n/a
Meas. Tech.
ChEMBL_422536 (CHEMBL911030)
Ki
81±n/a nM
Citation
 Dell'Agli, M; Parapini, S; Galli, G; Vaiana, N; Taramelli, D; Sparatore, A; Liu, P; Dunn, BM; Bosisio, E; Romeo, S High antiplasmodial activity of novel plasmepsins I and II inhibitors. J Med Chem 49:7440-9 (2006) [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:
BDBM50200020
Synonyms:
(3S,4S)-4-((2S,3S)-2-(4-(4-((4-(6-methoxyquinolin-8-ylamino)-pentyl)carbamoyl)phenoxy)benzamido)-3-methylpentanamido)-3-hydroxy-6-methylheptanoic acid butylamide | CHEMBL376250
Type:
Small organic molecule
Emp. Form.:
C47H64N6O7
Mol. Mass.:
825.0471
SMILES:
CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r|
Structure:
Search PDB for entries with ligand similarity: