| Reaction Details |
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 | Report a problem with these data |
| Target | Type II NADH:quinone oxidoreductase Ndh |
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| Ligand | BDBM50602370 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2240211 (CHEMBL5154107) |
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| IC50 | 12±n/a nM |
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| Citation |  Dam, S; Tangara, S; Hamela, C; Hattabi, T; Faļon, L; Carre, P; Antoine, R; Herledan, A; Leroux, F; Piveteau, C; Eveque, M; Flipo, M; Deprez, B; Kremer, L; Willand, N; Villemagne, B; Hartkoorn, RC Tricyclic SpiroLactams Kill Mycobacteria In Vitro and In Vivo by Inhibiting Type II NADH Dehydrogenases. J Med Chem65:16651-16664 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Type II NADH:quinone oxidoreductase Ndh |
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| Name: | Type II NADH:quinone oxidoreductase Ndh |
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| Synonyms: | 1.6.5.9 | NDH_MYCTU | Type II NADH dehydrogenase Ndh | ndh |
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| Type: | PROTEIN |
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| Mol. Mass.: | 49630.01 |
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| Organism: | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
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| Description: | ChEMBL_120767 |
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| Residue: | 463 |
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| Sequence: | MSPQQEPTAQPPRRHRVVIIGSGFGGLNAAKKLKRADVDIKLIARTTHHLFQPLLYQVAT
GIISEGEIAPPTRVVLRKQRNVQVLLGNVTHIDLAGQCVVSELLGHTYQTPYDSLIVAAG
AGQSYFGNDHFAEFAPGMKSIDDALELRGRILSAFEQAERSSDPERRAKLLTFTVVGAGP
TGVEMAGQIAELAEHTLKGAFRHIDSTKARVILLDAAPAVLPPMGAKLGQRAAARLQKLG
VEIQLGAMVTDVDRNGITVKDSDGTVRRIESACKVWSAGVSASRLGRDLAEQSRVELDRA
GRVQVLPDLSIPGYPNVFVVGDMAAVEGVPGVAQGAIQGAKYVASTIKAELAGANPAERE
PFQYFDKGSMATVSRFSAVAKIGPVEFSGFIAWLIWLVLHLAYLIGFKTKITTLLSWTVT
FLSTRRGQLTITDQQAFARTRLEQLAELAAEAQGSAASAKVAS
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| BDBM50602370 |
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| n/a |
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| Name | BDBM50602370 |
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| Synonyms: | CHEMBL5186518 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H27F3N2O3 |
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| Mol. Mass. | 412.4459 |
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| SMILES | [H][C@]12CCC(=O)N3[C@H](CO[C@]13CCN(Cc1ccc(OC(F)(F)F)cc1)C2)C(C)C |r| |
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| Structure | 
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