Ki Summary

Reaction Details

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Target

Cruzipain

Ligand

BDBM50229129

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_557650 (CHEMBL961600)

IC50

4±n/a nM

Citation

Chen, YT; Lira, R; Hansell, E; McKerrow, JH; Roush, WR Synthesis of macrocyclic trypanosomal cysteine protease inhibitors. Bioorg Med Chem Lett18:5860-3 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cruzipain

Name:

Cruzipain

Synonyms:

CYSP_TRYCR | Cruzain | Cruzaine | Major cysteine proteinase

Type:

Protein

Mol. Mass.:

49831.41

Organism:

Trypanosoma cruzi

Description:

P25779

Residue:

467

Sequence:

MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLS
VFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEV
VGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDK
TDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVEL
PQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYW
IIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSY
FVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVR
SSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL

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