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Target
Cysteine proteinase B
Ligand
BDBM50134127
Substrate
n/a
Meas. Tech.
ChEMBL_303092 (CHEMBL828764)
Ki
50±n/a nM
Citation
 Wang, Y; Benn, A; Flinn, N; Monk, T; Ramjee, M; Watts, J; Quibell, M cis-6-oxo-hexahydro-2-oxa-1,4-diazapentalene and cis-6-oxo-hexahydropyrrolo[3,2-c]pyrazole based scaffolds: design rationale, synthesis and cysteinyl proteinase inhibition. Bioorg Med Chem Lett 15:1327-31 (2005) [PubMed]  Article 
Target
Name:
Cysteine proteinase B
Synonyms:
LMCPB | LMCPB2.8 | LMCPB_LEIME
Type:
PROTEIN
Mol. Mass.:
47725.09
Organism:
Leishmania mexicana
Description:
ChEMBL_303092
Residue:
443
Sequence:
MATSRAALCAVAVVCVVLAAACAPARAIHVGTPAAALFEEFKRTYGRAYETLAEEQQRLANFERNLELMREHQARNPHAQFGITKFFDLSEAEFAARYLNGAAYFAAAKRHAAQHYRKARADLSAVPDAVDWREKGAVTPVKDQGACGSCWAFSAVGNIEGQWYLAGHELVSLSEQQLVSCDDMNDGCDGGLMLQAFDWLLQNTNGHLHTEDSYPYVSGNGYVPECSNSSELVVGAQIDGHVLIGSSEKAMAAWLAKNGPIAIALDASSFMSYKSGVLTACIGKQLNHGVLLVGYDMTGEVPYWVIKNSWGGDWGEQGYVRVVMGVNACLLSEYPVSAHVRESAAPGTSTSSETPAPRPVMVEQVICFDKNCTQGCRKTLIKANECHKNGGGGASMIKCSPQKVTMCTYSNEFCVGGGLCFETPDGKCAPYFLGSIMNTCHYT
  
Inhibitor
Name:
BDBM50134127
Synonyms:
CHEMBL607122
Type:
Small organic molecule
Emp. Form.:
C29H36N4O4
Mol. Mass.:
504.6205
SMILES:
CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1NC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1 |r|
Structure:
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