Reaction Details Report a problem with these data
Target
Siderophore-binding protein
Ligand
BDBM50146462
Substrate
n/a
Meas. Tech.
CA Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
Ki
1.2e+2±n/a nM
Comments
extracted
Citation
 Maresca, A; Vullo, D; Scozzafava, A; Manole, G; Supuran, CT Inhibition of the ß-class carbonic anhydrases from Mycobacterium tuberculosis with carboxylic acids. J Enzyme Inhib Med Chem 28:392-6 (2013) [PubMed]  Article 
Target
Name:
Siderophore-binding protein
Synonyms:
β-Carbonic anhydrase 3 (CA 3)
Type:
Enzyme
Mol. Mass.:
17663.22
Organism:
Mycobacterium tuberculosis
Description:
n/a
Residue:
174
Sequence:
MPLFSFEGRSPRIDPTAFVAPTATLIGDVTIEAGASVWFNAVLRGDYAPVVVREGANVQDGAVLHAPPGIPVDIGPGATVAHLCVIHGVHVGSEALIANHATVLDGAVIGARCMIAAGALVVAGTQIPAGMLVTGAPAKVKGPIEGTGAEMWVNVNPQAYRDLAARHLAGLEPM
  
Inhibitor
Name:
BDBM50146462
Synonyms:
(2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid | (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid (7) | (E)-2-hydroxycinnamic acid | (E)-3-(2-hydroxyphenyl)-2-propenoic acid | (E)-o-hydroxycinnamic acid | CHEMBL52564 | o-Hydroxycinnamic acid (o-HCA) | o-hydroxy-trans-cinnamic acid | trans-2-coumaric acid | trans-o-hydroxycinnamic acid
Type:
Small organic molecule
Emp. Form.:
C9H8O3
Mol. Mass.:
164.158
SMILES:
OC(=O)\C=C\c1ccccc1O
Structure:
Search PDB for entries with ligand similarity: