| Reaction Details |
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 | Report a problem with these data |
| Target | Isocitrate lyase |
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| Ligand | BDBM50351205 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_763888 (CHEMBL1820652) |
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| IC50 | 1460±n/a nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| Isocitrate lyase |
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| Name: | Isocitrate lyase |
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| Synonyms: | ACEA_MYCTU | Isocitrase | Isocitratase | Isocitrate lyase | Isocitrate lyase (ICL) | icl |
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| Type: | Enzyme |
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| Mol. Mass.: | 47072.93 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | P9WKK7 |
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| Residue: | 428 |
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| Sequence: | MSVVGTPKSAEQIQQEWDTNPRWKDVTRTYSAEDVVALQGSVVEEHTLARRGAEVLWEQL
HDLEWVNALGALTGNMAVQQVRAGLKAIYLSGWQVAGDANLSGHTYPDQSLYPANSVPQV
VRRINNALQRADQIAKIEGDTSVENWLAPIVADGEAGFGGALNVYELQKALIAAGVAGSH
WEDQLASEKKCGHLGGKVLIPTQQHIRTLTSARLAADVADVPTVVIARTDAEAATLITSD
VDERDQPFITGERTREGFYRTKNGIEPCIARAKAYAPFADLIWMETGTPDLEAARQFSEA
VKAEYPDQMLAYNCSPSFNWKKHLDDATIAKFQKELAAMGFKFQFITLAGFHALNYSMFD
LAYGYAQNQMSAYVELQEREFAAEERGYTATKHQREVGAGYFDRIATTVDPNSSTTALTG
STEEGQFH
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| BDBM50351205 |
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| n/a |
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| Name | BDBM50351205 |
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| Synonyms: | CHEMBL1818382 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H22F2N4O6 |
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| Mol. Mass. | 452.4087 |
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| SMILES | CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCN(CC3C)C(=O)CC[N+]([O-])=O)c(F)c12 |
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| Structure | 
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