| Reaction Details |
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 | Report a problem with these data |
| Target | Sortase family protein |
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| Ligand | BDBM50196060 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1618140 (CHEMBL3860309) |
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| Ki | 9400±n/a nM |
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| Citation |  Rentero Rebollo, I; McCallin, S; Bertoldo, D; Entenza, JM; Moreillon, P; Heinis, C Development of Potent and Selective S. aureus Sortase A Inhibitors Based on Peptide Macrocycles. ACS Med Chem Lett7:606-11 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Sortase family protein |
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| Name: | Sortase family protein |
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| Synonyms: | Sortase | Sortase A (SrtA) |
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| Type: | Enzyme |
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| Mol. Mass.: | 23546.15 |
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| Organism: | Staphylococcus aureus |
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| Description: | n/a |
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| Residue: | 206 |
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| Sequence: | MKKWTNRLMTIAGVVLILVAAYLFAKPHIDNYLHDKDKDEKIEQYDKNVKEQASKDKKQQ
AKPQIPKDKSKVAGYIEIPDADIKEPVYPGPATPEQLNRGVSFAEENESLDDQNISIAGH
TFIDRPNYQFTNLKAAKKGSMVYFKVGNETRKYKMTSIRDVKPTDVGVLDEQKGKDKQLT
LITCDDYNEKTGVWEKRKIFVATEVK
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| BDBM50196060 |
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| n/a |
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| Name | BDBM50196060 |
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| Synonyms: | CHEMBL3916850 |
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| Type | Small organic molecule |
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| Emp. Form. | C82H125N19O21S4 |
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| Mol. Mass. | 1841.245 |
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| SMILES | [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1)cc(CSC[C@H](NC2=O)C(=O)NCC(N)=O)c3)[C@@H](C)CC |r| |
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| Structure | 
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