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Reaction Details
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TargetCruzipain
LigandBDBM50023198
Substrate/Competitorn/a
Meas. Tech.ChEMBL_635150 (CHEMBL1119972)
IC50 68000±n/a nM
Citation Doak, AKWille, HPrusiner, SBShoichet, BK Colloid formation by drugs in simulated intestinal fluid. J Med Chem53:4259-65 (2010) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50023198
n/a
NameBDBM50023198
Synonyms:8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5-yl)-4-oxo-4H-1-benzopyran | CHEMBL21333 | N-(4-oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl)-4-(4-phenylbutoxy)benzamide | N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenyl-butoxy)-benzamide | N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenyl-butoxy)-benzamide (ONO-RS-411) | N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenyl-butoxy)-benzamide(ONO-RS-411) | ONO-1078 | PRANLUKAST
TypeSmall organic molecule
Emp. Form.C27H23N5O4
Mol. Mass.481.5026
SMILESO=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: