Target
Decaprenylphosphoryl-beta-D-ribose oxidase
Ligand
BDBM50556192
Substrate
n/a
Meas. Tech.
ChEMBL_2055417 (CHEMBL4710418)
IC50
1700±n/a nM
Citation
 Liu, LKong, CFumagalli, MSavková, KXu, YHuszár, SSammartino, JCFan, DChiarelli, LRMiku?ová, KSun, ZQiao, 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:
BDBM50556192
Synonyms:
CHEMBL4750100
Type:
Small organic molecule
Emp. Form.:
C21H23F3N4OS
Mol. Mass.:
436.494
SMILES:
FC(F)(F)c1cc(C#N)c2sc(nc(=O)c2c1)N1CCN(CC2CCCCC2)CC1
Structure:
Search PDB for entries with ligand similarity: