Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCysteine proteinase B
LigandBDBM50134127
Substrate/Competitorn/a
Meas. Tech.ChEMBL_303092 (CHEMBL828764)
Ki 50±n/a nM
Citation Wang, YBenn, AFlinn, NMonk, TRamjee, MWatts, JQuibell, 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 Lett15:1327-31 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cysteine proteinase B
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:
MATSRAALCAVAVVCVVLAAACAPARAIHVGTPAAALFEEFKRTYGRAYETLAEEQQRLA
NFERNLELMREHQARNPHAQFGITKFFDLSEAEFAARYLNGAAYFAAAKRHAAQHYRKAR
ADLSAVPDAVDWREKGAVTPVKDQGACGSCWAFSAVGNIEGQWYLAGHELVSLSEQQLVS
CDDMNDGCDGGLMLQAFDWLLQNTNGHLHTEDSYPYVSGNGYVPECSNSSELVVGAQIDG
HVLIGSSEKAMAAWLAKNGPIAIALDASSFMSYKSGVLTACIGKQLNHGVLLVGYDMTGE
VPYWVIKNSWGGDWGEQGYVRVVMGVNACLLSEYPVSAHVRESAAPGTSTSSETPAPRPV
MVEQVICFDKNCTQGCRKTLIKANECHKNGGGGASMIKCSPQKVTMCTYSNEFCVGGGLC
FETPDGKCAPYFLGSIMNTCHYT
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50134127
n/a
NameBDBM50134127
Synonyms:CHEMBL607122
TypeSmall organic molecule
Emp. Form.C29H36N4O4
Mol. Mass.504.6205
SMILESCC(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
Search PDB for entries with ligand similarity:Similarity to this molecule at least: