Reaction Details Report a problem with these data
Target
Decaprenylphosphoryl-beta-D-ribose oxidase
Ligand
BDBM50586283
Substrate
n/a
Meas. Tech.
ChEMBL_2165791 (CHEMBL5050652)
IC50
1300±n/a nM
Citation
 Shi, R; Wang, B; Stelitano, G; Wu, X; Shan, Y; Wu, Y; Wang, X; Chiarelli, LR; Lu, Y; Qiao, C Development of 6-Methanesulfonyl-8-nitrobenzothiazinone Based Antitubercular Agents. ACS Med Chem Lett 13:593-598 (2022) [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:
BDBM50586283
Synonyms:
CHEMBL5076451
Type:
Small organic molecule
Emp. Form.:
C18H24N4O5S2
Mol. Mass.:
440.537
SMILES:
CC(C)CN1CCCN(CC1)c1nc(=O)c2cc(cc([N+]([O-])=O)c2s1)S(C)(=O)=O
Structure:
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