Reaction Details Report a problem with these data
Target
Cathepsin B-like cysteine protease
Ligand
BDBM22071
Substrate
BDBM22047
Meas. Tech.
Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
295.15±n/a K
IC50
10000±2000 nM
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:
BDBM22071
Synonyms:
6-[(2-phenylethyl)amino]-9-(pyridin-3-ylmethyl)-9H-purine-2-carbonitrile | Compound 3{13,10}
Type:
Small organic molecule
Emp. Form.:
C20H17N7
Mol. Mass.:
355.3959
SMILES:
N#Cc1nc(NCCc2ccccc2)c2ncn(Cc3cccnc3)c2n1
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