Ki Summary

Reaction Details

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Target

Cathepsin B-like cysteine protease

Ligand

BDBM50229129

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_619863 (CHEMBL1109344)

IC50

4000±n/a nM

Citation

Bryant, C; Kerr, ID; Debnath, M; Ang, KK; Ratnam, J; Ferreira, RS; Jaishankar, P; Zhao, D; Arkin, MR; McKerrow, JH; Brinen, LS; Renslo, AR Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases. Bioorg Med Chem Lett19:6218-21 (2009) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cathepsin B-like cysteine protease

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:

MHLMRACITFCIASTAVVAVNAALVAEDAPVLSKAFVDRVNRLNRGIWKAKYDGVMQNIT
LREAKRLNGVIKKNNNASILPKRRFTEEEARAPLPSSFDSAEAWPNCPTIPQIADQSACG
SCWAVAAASAMSDRFCTMGGVQDVHISAGDLLACCSDCGDGCNGGDPDRAWAYFSSTGLV
SDYCQPYPFPHCSHHSKSKNGYPPCSQFNFDTPKCNYTCDDPTIPVVNYRSWTSYALQGE
DDYMRELFFRGPFEVAFDVYEDFIAYNSGVYHHVSGQYLGGHAVRLVGWGTSNGVPYWKI
ANSWNTEWGMDGYFLIRRGSSECGIEDGGSAGIPLAPNTA

BDBM50229129

n/a

Name

BDBM50229129

Synonyms:

4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-(S)-3-benzenesulfonyl-1-phenethyl-allylcarbamoyl)-2-phenyl-ethyl]-amide | 4-[(S)-1-((E)-(S)-3-benzenesulfonyl-1-phenethyl-allylcarbamoyl)-2-phenyl-ethylcarbamoyl]-1-methyl-piperazin-1-ium | 4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)propan-2-yl)piperazine-1-carboxamide | 4-methyl-N-((S)-1-oxo-3-phenyl-1-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)propan-2-yl)piperazine-1-carboxamide | CHEMBL91704 | K-777

Type

Small organic molecule

Emp. Form.

C32H38N4O4S

Mol. Mass.

574.734

SMILES

CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34|

Structure