Reaction Details |
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Target | Cruzipain |
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Ligand | BDBM50603783 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2245278 (CHEMBL5159488) |
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IC50 | 0.490000±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 |
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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BDBM50603783 |
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n/a |
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Name | BDBM50603783 |
Synonyms: | CHEMBL4595806 |
Type | Small organic molecule |
Emp. Form. | C42H56N6O6 |
Mol. Mass. | 740.9306 |
SMILES | COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2| |
Structure |
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