Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEpoxide hydrolase B
LigandBDBM25728
Substrate/CompetitorBDBM25726
Meas. Tech.Mtb EHB Inhibition Assay
pH7±n/a
Temperature303.15±n/a K
IC50 170±n/a nM
Citation Biswal, BKMorisseau, CGaren, GCherney, MMGaren, CNiu, CHammock, BDJames, MN The molecular structure of epoxide hydrolase B from Mycobacterium tuberculosis and its complex with a urea-based inhibitor. J Mol Biol381:897-912 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Epoxide hydrolase B
Name:Epoxide hydrolase B
Synonyms:EPHB_MYCTO | Epoxide Hydrolase B (EHB) | Mtb EHB
Type:Enzyme
Mol. Mass.:39285.78
Organism:Mycobacterium tuberculosis
Description:The His6-tagged Mtb EHB was expressed in E. coli and purified.
Residue:356
Sequence:
MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAI
DQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDR
CAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEE
DLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVY
PETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQ
YDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM25728
BDBM25726
NameBDBM25728
Synonyms:1,3-bis(4-chlorophenyl)urea | Urea-based compound, 9
TypeSmall organic molecule
Emp. Form.C13H10Cl2N2O
Mol. Mass.281.137
SMILESClc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: