Reaction Details |
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Target | Cysteine proteinase B |
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Ligand | BDBM50161337 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_303092 |
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Ki | 1170±n/a nM |
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Citation | Wang, Y; Benn, A; Flinn, N; Monk, T; Ramjee, M; Watts, J; Quibell, M cis-6-oxo-hexahydro-2-oxa-1,4-diazapentalene and cis-6-oxo-hexahydropyrrolo[3,2-c]pyrazole based scaffolds: design rationale, synthesis and cysteinyl proteinase inhibition. Bioorg Med Chem Lett15:1327-31 (2005) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cysteine proteinase B |
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Name: | Cysteine proteinase B |
Synonyms: | LMCPB | LMCPB2.8 | LMCPB_LEIME |
Type: | PROTEIN |
Mol. Mass.: | 47725.09 |
Organism: | Leishmania mexicana |
Description: | ChEMBL_303092 |
Residue: | 443 |
Sequence: | MATSRAALCAVAVVCVVLAAACAPARAIHVGTPAAALFEEFKRTYGRAYETLAEEQQRLA
NFERNLELMREHQARNPHAQFGITKFFDLSEAEFAARYLNGAAYFAAAKRHAAQHYRKAR
ADLSAVPDAVDWREKGAVTPVKDQGACGSCWAFSAVGNIEGQWYLAGHELVSLSEQQLVS
CDDMNDGCDGGLMLQAFDWLLQNTNGHLHTEDSYPYVSGNGYVPECSNSSELVVGAQIDG
HVLIGSSEKAMAAWLAKNGPIAIALDASSFMSYKSGVLTACIGKQLNHGVLLVGYDMTGE
VPYWVIKNSWGGDWGEQGYVRVVMGVNACLLSEYPVSAHVRESAAPGTSTSSETPAPRPV
MVEQVICFDKNCTQGCRKTLIKANECHKNGGGGASMIKCSPQKVTMCTYSNEFCVGGGLC
FETPDGKCAPYFLGSIMNTCHYT
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BDBM50161337 |
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n/a |
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Name | BDBM50161337 |
Synonyms: | N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carbonyl)-3-methyl-butyl]-4-dimethylamino-benzamide |
Type | Small organic molecule |
Emp. Form. | C28H34N4O4 |
Mol. Mass. | 490.594 |
SMILES | CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCC2[C@H]1C(=O)CN2C(=O)c1ccccc1 |
Structure |
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