Reaction Details Report a problem with these data
Target
Dihydropteroate synthase
Ligand
BDBM50031528
Substrate
n/a
Meas. Tech.
ChEMBL_1440910 (CHEMBL3375174)
Kd
7800±n/a nM
Citation
 Dennis, ML; Chhabra, S; Wang, ZC; Debono, A; Dolezal, O; Newman, J; Pitcher, NP; Rahmani, R; Cleary, B; Barlow, N; Hattarki, M; Graham, B; Peat, TS; Baell, JB; Swarbrick, JD Structure-based design and development of functionalized Mercaptoguanine derivatives as inhibitors of the folate biosynthesis pathway enzyme 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from Staphylococcus aureus. J Med Chem 57:9612-26 (2014) [PubMed]  Article 
Target
Name:
Dihydropteroate synthase
Synonyms:
Bacterial dihydropteroate synthase | DHPS_ECOLI | Dihydropteroate synthase | dhpS | folP
Type:
PROTEIN
Mol. Mass.:
30611.24
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_1440910
Residue:
282
Sequence:
MKLFAQGTSLDLSHPHVMGILNVTPDSFSDGGTHNSLIDAVKHANLMINAGATIIDVGGESTRPGAAEVSVEEELQRVIPVVEAIAQRFEVWISVDTSKPEVIRESAKVGAHIINDIRSLSEPGALEAAAETGLPVCLMHMQGNPKTMQEAPKYDDVFAEVNRYFIEQIARCEQAGIAKEKLLLDPGFGFGKNLSHNYSLLARLAEFHHFNLPLLVGMSRKSMIGQLLNVGPSERLSGSLACAVIAAMQGAHIIRVHDVKETVEAMRVVEATLSAKENKRYE
  
Inhibitor
Name:
BDBM50031528
Synonyms:
CHEMBL3359160
Type:
Small organic molecule
Emp. Form.:
C8H9N5O2S
Mol. Mass.:
239.254
SMILES:
CC(=O)CSc1nc2c(nc(N)[nH]c2=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: