Reaction Details |
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Target | Cruzipain |
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Ligand | BDBM50003067 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_466898 (CHEMBL935786) |
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IC50 | <600000±n/a nM |
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Citation | Babaoglu, K; Simeonov, A; Irwin, JJ; Nelson, ME; Feng, B; Thomas, CJ; Cancian, L; Costi, MP; Maltby, DA; Jadhav, A; Inglese, J; Austin, CP; Shoichet, BK Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J Med Chem51:2502-11 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cruzipain |
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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
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BDBM50003067 |
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n/a |
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Name | BDBM50003067 |
Synonyms: | CHEMBL261122 |
Type | Small organic molecule |
Emp. Form. | C14H12O5 |
Mol. Mass. | 260.2421 |
SMILES | CCOC(=O)C(\C(C)=O)=C1/OC(=O)c2ccccc12 |
Structure |
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