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Target
Cruzipain
Ligand
BDBM35503
Substrate
n/a
Meas. Tech.
ChEMBL_595795 (CHEMBL1048802)
IC50
90±n/a nM
Citation
 Mott, BT; Ferreira, RS; Simeonov, A; Jadhav, A; Ang, KK; Leister, W; Shen, M; Silveira, JT; Doyle, PS; Arkin, MR; McKerrow, JH; Inglese, J; Austin, CP; Thomas, CJ; Shoichet, BK; Maloney, DJ Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB. J Med Chem 53:52-60 (2010) [PubMed]  Article 
Target
Name:
Cruzipain
Synonyms:
CYSP_TRYCR | Cruzain | Cruzaine | Major cysteine proteinase
Type:
Protein
Mol. Mass.:
49831.41
Organism:
Trypanosoma cruzi
Description:
P25779
Residue:
467
Sequence:
MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLSVFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEVVGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDKTDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVELPQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYWIIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSYFVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVRSSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL
  
Inhibitor
Name:
BDBM35503
Synonyms:
4-ethoxy-6-(1-piperidinyl)-1,3,5-triazine-2-carbonitrile | 4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile | 4-ethoxy-6-piperidino-s-triazine-2-carbonitrile | MLS000043919 | SMR000021130 | cid_729558
Type:
Small organic molecule
Emp. Form.:
C11H15N5O
Mol. Mass.:
233.2697
SMILES:
CCOc1nc(nc(n1)N1CCCCC1)C#N
Structure:
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