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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Isocitrate lyase | ||
| Ligand | BDBM50351206 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_763888 (CHEMBL1820652) | ||
| IC50 | 100±n/a nM | ||
| Citation |  Sriram, D; Yogeeswari, P; Methuku, S; Vyas, DR; Senthilkumar, P; Alvala, M; Jeankumar, VU Synthesis of various 3-nitropropionamides as Mycobacterium tuberculosis isocitrate lyase inhibitor. Bioorg Med Chem Lett21:5149-54 (2011) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Isocitrate lyase | |||
| Name: | Isocitrate lyase | ||
| Synonyms: | ACEA_MYCTU | Isocitrase | Isocitratase | Isocitrate lyase | Isocitrate lyase (ICL) | icl | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 47072.93 | ||
| Organism: | Mycobacterium tuberculosis | ||
| Description: | P9WKK7 | ||
| Residue: | 428 | ||
| Sequence: |
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| BDBM50351206 | |||
| n/a | |||
| Name | BDBM50351206 | ||
| Synonyms: | CHEMBL1818383 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H27FN4O7 | ||
| Mol. Mass. | 490.4815 | ||
| SMILES | COc1c2n(cc(C(O)=O)c([O-])c2cc(F)c1=[N+]1C(C)CN(CC1C)C(=O)CC[N+]([O-])=O)C1CC1 |(26.56,-22.89,;25.58,-22.34,;25.59,-20.8,;26.92,-20.05,;28.23,-20.83,;29.58,-20.08,;29.6,-18.54,;30.94,-17.79,;32.26,-18.58,;30.96,-16.25,;28.27,-17.75,;28.29,-16.21,;26.94,-18.51,;25.6,-17.73,;24.27,-18.5,;22.94,-17.72,;24.26,-20.03,;22.93,-20.8,;21.59,-20.01,;21.6,-18.47,;20.24,-20.78,;20.24,-22.32,;21.58,-23.11,;22.91,-22.34,;24.24,-23.12,;18.9,-23.09,;18.9,-24.64,;17.57,-22.32,;16.22,-23.09,;14.88,-22.32,;14.88,-20.78,;13.54,-23.09,;28.22,-22.37,;27.43,-23.69,;28.97,-23.72,)| | ||
| Structure | 
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