Reaction Details Report a problem with these data
Target
Histidine biosynthesis bifunctional protein HisB
Ligand
BDBM50486980
Substrate
n/a
Meas. Tech.
ChEMBL_907777 (CHEMBL3066369)
IC50
12600±n/a nM
Citation
 Schweitzer, BA; Loida, PJ; CaJacob, CA; Chott, RC; Collantes, EM; Hegde, SG; Mosier, PD; Profeta, S Discovery of imidazole glycerol phosphate dehydratase inhibitors through 3-D database searching. Bioorg Med Chem Lett 12:1743-6 (2002) [PubMed]  Article 
Target
Name:
Histidine biosynthesis bifunctional protein HisB
Synonyms:
3.1.3.15 | 4.2.1.19 | HIS7_ECOLI | Histidine biosynthesis bifunctional protein HisB | Histidinol-phosphatase | IGPD | Imidazoleglycerol-phosphate dehydratase | hisB
Type:
PROTEIN
Mol. Mass.:
40274.50
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_106596
Residue:
355
Sequence:
MSQKYLFIDRDGTLISEPPSDFQVDRFDKLAFEPGVIPELLKLQKAGYKLVMITNQDGLGTQSFPQADFDGPHNLMMQIFTSQGVQFDEVLICPHLPADECDCRKPKVKLVERYLAEQAMDRANSYVIGDRATDIQLAENMGITGLRYDRETLNWPMIGEQLTRRDRYAHVVRNTKETQIDVQVWLDREGGSKINTGVGFFDHMLDQIATHGGFRMEINVKGDLYIDDHHTVEDTGLALGEALKIALGDKRGICRFGFVLPMDECLARCALDISGRPHLEYKAEFTYQRVGDLSTEMIEHFFRSLSYTMGVTLHLKTKGKNDHHRVESLFKAFGRTLRQAIRVEGDTLPSSKGVL
  
Inhibitor
Name:
BDBM50486980
Synonyms:
CHEMBL410501
Type:
Small organic molecule
Emp. Form.:
C18H25NO7
Mol. Mass.:
367.3936
SMILES:
CCOCC(=O)Cc1c(CCC(=O)OCC)c([nH]c1C=O)C(=O)OCC
Structure:
Search PDB for entries with ligand similarity: