Reaction Details Report a problem with these data
Target
Type II NADH:quinone oxidoreductase NdhA
Ligand
BDBM50602371
Substrate
n/a
Meas. Tech.
ChEMBL_2240213 (CHEMBL5154109)
IC50
330±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 Chem 65:16651-16664 (2022) [PubMed] 
Target
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:
MTLSSGEPSAVGGRHRVVIIGSGFGGLNAAKALKRADVDITLISKTTTHLFQPLLYQVATGILSEGDIAPTTRLILRRQKNVRVLLGEVNAIDLKAQTVTSKLMDMTTVTPYDSLIVAAGAQQSYFGNDEFATFAPGMKTIDDALELRGRILGAFEAAEVSTDHAERERRLTFVVVGAGPTGVEVAGQIVELAERTLAGAFRTITPSECRVILLDAAPAVLPPMGPKLGLKAQRRLEKMDVEVQLNAMVTAVDYKGITIKEKDGGERRIECACKVWAAGVAASPLGKMIAEGSDGTEIDRAGRVIVEPDLTVKGHPNVFVVGDLMFVPGVPGVAQGAIQGARYATTVIKHMVKGNDDPANRKPFHYFNKGSMATISRHSAVAQVGKLEFAGYFAWLAWLVLHLVYLVGYRNRIAALFAWGISFMGRARGQMAITSQMIYARLVMTLMEQQAQGALAAAEQAEHAEQEAAG
  
Inhibitor
Name:
BDBM50602371
Synonyms:
CHEMBL5202255
Type:
Small organic molecule
Emp. Form.:
C20H26F3N3O2
Mol. Mass.:
397.4345
SMILES:
[H][C@]12CCC(=O)N3[C@H](CO[C@]13CCN(Cc1ccc(nc1)C(F)(F)F)C2)C(C)C |r|
Structure:
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