| Reaction Details |
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 | Report a problem with these data |
| Target | Cruzipain |
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| Ligand | BDBM50603791 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2245278 (CHEMBL5159488) |
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| IC50 | 0.790000±n/a nM |
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| Citation |  Barbosa Da Silva, E; Sharma, V; Hernandez-Alvarez, L; Tang, AH; Stoye, A; O'Donoghue, AJ; Gerwick, WH; Payne, RJ; McKerrow, JH; Podust, LM Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against J Med Chem65:4255-4269 (2022) [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 |
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| Synonyms: | CYSP_TRYCR | Cruzain | Cruzaine | Major cysteine proteinase |
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| Type: | Protein |
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| Mol. Mass.: | 49831.41 |
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| Organism: | Trypanosoma cruzi |
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| Description: | P25779 |
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| Residue: | 467 |
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| Sequence: | MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLS
VFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEV
VGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDK
TDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVEL
PQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYW
IIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSY
FVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVR
SSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL
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| BDBM50603791 |
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| n/a |
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| Name | BDBM50603791 |
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| Synonyms: | CHEMBL5179302 |
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| Type | Small organic molecule |
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| Emp. Form. | C50H62F3N5O6 |
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| Mol. Mass. | 886.0524 |
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| SMILES | COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2| |
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| Structure | 
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