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Target
Cysteine protease
Ligand
BDBM50183401
Substrate
n/a
Meas. Tech.
ChEMBL_336666 (CHEMBL862349)
IC50
43000±n/a nM
Citation
 Desai, PV; Patny, A; Gut, J; Rosenthal, PJ; Tekwani, B; Srivastava, A; Avery, M Identification of novel parasitic cysteine protease inhibitors by use of virtual screening. 2. The available chemical directory. J Med Chem 49:1576-84 (2006) [PubMed]  Article 
Target
Name:
Cysteine protease
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
42630.50
Organism:
Leishmania donovani
Description:
ChEMBL_430130
Residue:
394
Sequence:
MATSRAALCAVAVVCVVLAAACAPARAIYVGTPAAALFEEFKRTYRRAYGTLAEEQQRLANFERNLELMREHQARNPHARFGITKFFDLSEAEFAARYLNGAAYFAAAKQHAGQHYRKARADLSAVPDAVDWREKGAVTPVKNQGACGSCWAFSAVGNIESQWARAGHGLVSLSEQQLVSCDDKDNGCNGGLMLQAFEWLLRHMYGIVFTEKSYPYTSGNGDVAECLNSSKLVPGARIDGYVMIPSNETVMAAWLAENGPIAIGVDASSFMSYQSGVLTSCAGDALNHGVLLVGYNTTGGVPYCVIKNSWGEDWGEKGYVRVAMGLNACLLSEYPVSAHVPQSLTPALTASGNFCEACWTVMLHRILSVLKTNGWLLGRRPSARWREDGARGGQ
  
Inhibitor
Name:
BDBM50183401
Synonyms:
2-(benzo[d]oxazol-2-ylthio)-N-(2-(furan-2-ylmethylthio)ethyl)acetamide | CHEMBL381970
Type:
Small organic molecule
Emp. Form.:
C16H16N2O3S2
Mol. Mass.:
348.44
SMILES:
O=C(CSc1nc2ccccc2o1)NCCSCc1ccco1
Structure:
Search PDB for entries with ligand similarity: