Reaction Details Report a problem with these data
Target
Cysteine proteinase B
Ligand
BDBM50161334
Substrate
n/a
Meas. Tech.
ChEBML_303092
Ki
1000±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:
BDBM50161334
Synonyms:
N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-2-oxa-1,4-diaza-pentalene-1-carbonyl)-3-methyl-butyl]-4-dimethylamino-benzamide
Type:
Small organic molecule
Emp. Form.:
C27H32N4O5
Mol. Mass.:
492.5668
SMILES:
CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1OCC2[C@H]1C(=O)CN2C(=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: