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Target
Decaprenylphosphoryl-beta-D-ribose oxidase
Ligand
BDBM50515570
Substrate
n/a
Meas. Tech.
ChEMBL_2055417 (CHEMBL4710418)
IC50
10.0±n/a nM
Citation
 Liu, L; Kong, C; Fumagalli, M; Savková, K; Xu, Y; Huszár, S; Sammartino, JC; Fan, D; Chiarelli, LR; Miku?ová, K; Sun, Z; Qiao, C Design, synthesis and evaluation of covalent inhibitors of DprE1 as antitubercular agents. Eur J Med Chem 208:0 (2020) [PubMed]  Article 
Target
Name:
Decaprenylphosphoryl-beta-D-ribose oxidase
Synonyms:
DPRE1_MYCTU | Decaprenylphospho-beta-D-ribofuranose 2-dehydrogenase | Decaprenylphosphoryl-beta-D-ribose 2-epimerase flavoprotein subunit | Decaprenylphosphoryl-beta-D-ribose oxidase | FAD-dependent decaprenylphosphoryl-beta-D-ribofuranose 2-oxidase | dprE1
Type:
PROTEIN
Mol. Mass.:
50167.60
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_116793
Residue:
461
Sequence:
MLSVGATTTATRLTGWGRTAPSVANVLRTPDAEMIVKAVARVAESGGGRGAIARGLGRSYGDNAQNGGGLVIDMTPLNTIHSIDADTKLVDIDAGVNLDQLMKAALPFGLWVPVLPGTRQVTVGGAIACDIHGKNHHSAGSFGNHVRSMDLLTADGEIRHLTPTGEDAELFWATVGGNGLTGIIMRATIEMTPTSTAYFIADGDVTASLDETIALHSDGSEARYTYSSAWFDAISAPPKLGRAAVSRGRLATVEQLPAKLRSEPLKFDAPQLLTLPDVFPNGLANKYTFGPIGELWYRKSGTYRGKVQNLTQFYHPLDMFGEWNRAYGPAGFLQYQFVIPTEAVDEFKKIIGVIQASGHYSFLNVFKLFGPRNQAPLSFPIPGWNICVDFPIKDGLGKFVSELDRRVLEFGGRLYTAKDSRTTAETFHAMYPRVDEWISVRRKVDPLRVFASDMARRLELL
  
Inhibitor
Name:
BDBM50515570
Synonyms:
Macozinone | PBTZ-169 | PBTZ169
Type:
Small organic molecule
Emp. Form.:
C20H23F3N4O3S
Mol. Mass.:
456.482
SMILES:
[O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F
Structure:
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