Reaction Details Report a problem with these data
Target
Dihydropteroate synthase
Ligand
BDBM50190585
Substrate
n/a
Meas. Tech.
ChEMBL_1589224 (CHEMBL3830117)
IC50
18600±n/a nM
Citation
 Zhao, Y; Shadrick, WR; Wallace, MJ; Wu, Y; Griffith, EC; Qi, J; Yun, MK; White, SW; Lee, RE Pterin-sulfa conjugates as dihydropteroate synthase inhibitors and antibacterial agents. Bioorg Med Chem Lett 26:3950-4 (2016) [PubMed]  Article 
Target
Name:
Dihydropteroate synthase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
30967.84
Organism:
Bacillus anthracis
Description:
ChEMBL_595739
Residue:
280
Sequence:
MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK
  
Inhibitor
Name:
BDBM50190585
Synonyms:
CHEMBL3828540
Type:
Small organic molecule
Emp. Form.:
C15H15N7O4S
Mol. Mass.:
389.389
SMILES:
CC(=O)NS(=O)(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1
Structure:
Search PDB for entries with ligand similarity: