Reaction Details Report a problem with these data
Target
Dihydropteroate synthase
Ligand
BDBM50190582
Substrate
n/a
Meas. Tech.
ChEMBL_1589224 (CHEMBL3830117)
IC50
26800±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:
BDBM50190582
Synonyms:
CHEMBL3827911
Type:
Small organic molecule
Emp. Form.:
C19H19N9O5S
Mol. Mass.:
485.476
SMILES:
COc1cc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)nc(OC)n1
Structure:
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