Reaction Details Report a problem with these data
Target
Plasmepsin II
Ligand
BDBM50200016
Substrate
n/a
Meas. Tech.
ChEMBL_422537 (CHEMBL911031)
Ki
403±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 II
Synonyms:
Aspartic hemoglobinase II | PFAPD | PLM2_PLAFX | PMII | Plasmepsin 2 | Plasmepsin 2 (PM-II) | Plasmepsin-II
Type:
Enzyme
Mol. Mass.:
51482.09
Organism:
Plasmodium falciparum
Description:
P46925
Residue:
453
Sequence:
MDITVREHDFKHGFIKSNSTFDGLNIDNSKNKKKIQKGFQILYVLLFCSVMCGLFYYVYENVWLQRDNEMNEILKNSEHLTIGFKVENAHDRILKTIKTHKLKNYIKESVNFLNSGLTKTNYLGSSNDNIELVDFQNIMFYGDAEVGDNQQPFTFILDTGSANLWVPSVKCTTAGCLTKHLYDSSKSRTYEKDGTKVEMNYVSGTVSGFFSKDLVTVGNLSLPYKFIEVIDTNGFEPTYTASTFDGILGLGWKDLSIGSVDPIVVELKNQNKIENALFTFYLPVHDKHTGFLTIGGIEERFYEGPLTYEKLNHDLYWQITLDAHVGNIMLEKANCIVDSGTSAITVPTDFLNKMLQNLDVIKVPFLPFYVTLCNNSKLPTFEFTSENGKYTLEPEYYLQHIEDVGPGLCMLNIIGLDFPVPTFILGDPFMRKYFTVFDYDNHSVGIALAKKNL
  
Inhibitor
Name:
BDBM50200016
Synonyms:
(3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(6-(tert-butoxycarbamoyl)-1-(4-(6-methoxyquinolin-8-ylamino)pentylamino)-1-oxohexan-2-ylamino)-4-methyl-1-oxopentan-2-yl)carbamoyl)phenoxy)-benzamido)-3-methylpentanamido)-3-hydroxy-6-methylheptanoic acid butylamide | CHEMBL218750
Type:
Small organic molecule
Emp. Form.:
C64H95N9O11
Mol. Mass.:
1166.4928
SMILES:
CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r|
Structure:
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