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Target
Cathepsin B-like cysteine protease
Ligand
BDBM22102
Substrate
BDBM22047
Meas. Tech.
Enzyme Inhibition Assay
Temperature
298.15±n/a K
IC50
3400±n/a nM
Comments
extracted
Citation
 Mallari, JP; Shelat, AA; Obrien, T; Caffrey, CR; Kosinski, A; Connelly, M; Harbut, M; Greenbaum, D; McKerrow, JH; Guy, RK Development of potent purine-derived nitrile inhibitors of the trypanosomal protease TbcatB. J Med Chem 51:545-52 (2008) [PubMed]  Article 
Target
Name:
Cathepsin B-like cysteine protease
Synonyms:
CPC | Cathepsin B-Like Cysteine Protease (TbcatB) | Cysteine peptidase C | TbcatB
Type:
Enzyme
Mol. Mass.:
37220.37
Organism:
Trypanosoma brucei
Description:
Enzyme was expressed in yeast Pichia pastoris.
Residue:
340
Sequence:
MHLMRACITFCIASTAVVAVNAALVAEDAPVLSKAFVDRVNRLNRGIWKAKYDGVMQNITLREAKRLNGVIKKNNNASILPKRRFTEEEARAPLPSSFDSAEAWPNCPTIPQIADQSACGSCWAVAAASAMSDRFCTMGGVQDVHISAGDLLACCSDCGDGCNGGDPDRAWAYFSSTGLVSDYCQPYPFPHCSHHSKSKNGYPPCSQFNFDTPKCNYTCDDPTIPVVNYRSWTSYALQGEDDYMRELFFRGPFEVAFDVYEDFIAYNSGVYHHVSGQYLGGHAVRLVGWGTSNGVPYWKIANSWNTEWGMDGYFLIRRGSSECGIEDGGSAGIPLAPNTA
  
Inhibitor
Name:
BDBM22102
Synonyms:
6-{[(3,4-dichlorophenyl)methyl]amino}-9-(3,3-dimethoxypropyl)-9H-purine-2-carbonitrile | Compound 3{12,7}
Type:
Small organic molecule
Emp. Form.:
C18H18Cl2N6O2
Mol. Mass.:
421.281
SMILES:
COC(CCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N)OC
Structure:
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Substrate
Name:
BDBM22047
Synonyms:
CBZ-Phe-Arg 7-amido-4-methylcoumarin | Z-Phe-Arg-AMC
Type:
Fluorogenic substrate
Emp. Form.:
C33H36N6O6
Mol. Mass.:
612.6755
SMILES:
[#6]-c1cc(=O)oc2cc(-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c3ccccc3)-[#7]-[#6](=O)-[#8]-[#6]-c3ccccc3)ccc12
Structure:
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