| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Type II NADH:quinone oxidoreductase NdhA |
|---|
| Ligand | BDBM50602370 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2240213 (CHEMBL5154109) |
|---|
| IC50 | 57±n/a nM |
|---|
| 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 |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Type II NADH:quinone oxidoreductase NdhA |
|---|
| Name: | Type II NADH:quinone oxidoreductase NdhA |
|---|
| Synonyms: | 1.6.5.9 | NDHA_MYCTU | Type II NADH dehydrogenase NdhA | ndhA |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 50392.26 |
|---|
| Organism: | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
|---|
| Description: | ChEMBL_120768 |
|---|
| Residue: | 470 |
|---|
| Sequence: | MTLSSGEPSAVGGRHRVVIIGSGFGGLNAAKALKRADVDITLISKTTTHLFQPLLYQVAT
GILSEGDIAPTTRLILRRQKNVRVLLGEVNAIDLKAQTVTSKLMDMTTVTPYDSLIVAAG
AQQSYFGNDEFATFAPGMKTIDDALELRGRILGAFEAAEVSTDHAERERRLTFVVVGAGP
TGVEVAGQIVELAERTLAGAFRTITPSECRVILLDAAPAVLPPMGPKLGLKAQRRLEKMD
VEVQLNAMVTAVDYKGITIKEKDGGERRIECACKVWAAGVAASPLGKMIAEGSDGTEIDR
AGRVIVEPDLTVKGHPNVFVVGDLMFVPGVPGVAQGAIQGARYATTVIKHMVKGNDDPAN
RKPFHYFNKGSMATISRHSAVAQVGKLEFAGYFAWLAWLVLHLVYLVGYRNRIAALFAWG
ISFMGRARGQMAITSQMIYARLVMTLMEQQAQGALAAAEQAEHAEQEAAG
|
|
|
|---|
| BDBM50602370 |
|---|
| n/a |
|---|
| Name | BDBM50602370 |
|---|
| Synonyms: | CHEMBL5186518 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C21H27F3N2O3 |
|---|
| Mol. Mass. | 412.4459 |
|---|
| SMILES | [H][C@]12CCC(=O)N3[C@H](CO[C@]13CCN(Cc1ccc(OC(F)(F)F)cc1)C2)C(C)C |r| |
|---|
| Structure | 
|
|---|
Search and Browse
