Reaction Details Report a problem with these data
Target
Decaprenylphosphoryl-beta-D-ribose oxidase
Ligand
BDBM50599430
Substrate
n/a
Meas. Tech.
ChEMBL_2230486 (CHEMBL5144258)
IC50
98±n/a nM
Citation
 Liu, J; Dai, H; Wang, B; Liu, H; Tian, Z; Zhang, Y Exploring disordered loops in DprE1 provides a functional site to combat drug-resistance in Mycobacterium strains. Eur J Med Chem 227:0 (2022) [PubMed] 
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:
BDBM50599430
Synonyms:
CHEMBL5197700
Type:
Small organic molecule
Emp. Form.:
C19H17N3O4S2
Mol. Mass.:
415.486
SMILES:
O=C(NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1)OCC1CCC1
Structure:
Search PDB for entries with ligand similarity: