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Target
Decaprenylphosphoryl-beta-D-ribose oxidase
Ligand
BDBM50517954
Substrate
n/a
Meas. Tech.
ChEMBL_1870163 (CHEMBL4371330)
IC50
41±n/a nM
Citation
 Chikhale, RV; Barmade, MA; Murumkar, PR; Yadav, MR Overview of the Development of DprE1 Inhibitors for Combating the Menace of Tuberculosis. J Med Chem 61:8563-8593 (2018) [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:
BDBM50517954
Synonyms:
CHEMBL1976041
Type:
Small organic molecule
Emp. Form.:
C18H14F3N3O3
Mol. Mass.:
377.3173
SMILES:
COc1ccc(CNc2nc3cc(ccc3nc2C(O)=O)C(F)(F)F)cc1
Structure:
Search PDB for entries with ligand similarity: