Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase
LigandBDBM50339591
Substrate/Competitorn/a
Meas. Tech.ChEMBL_736725 (CHEMBL1695106)
Ki 1110±n/a nM
Citation Davis, RAHofmann, AOsman, AHall, RAMühlschlegel, FAVullo, DInnocenti, ASupuran, CTPoulsen, SA Natural product-based phenols as novel probes for mycobacterial and fungal carbonic anhydrases. J Med Chem54:1682-92 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase
Name:Carbonic anhydrase
Synonyms:Carbonic Anhydrase 2 (Can2)
Type:Enzyme
Mol. Mass.:26594.37
Organism:Cryptococcus neoformans var. grubii (Filobasidiella neoformans var. grubii)
Description:n/a
Residue:239
Sequence:
MPFHAEPLKPSDEIDMDLGHSVAAQKFKEIREVLEGNRYWARKVTSEEPEFMAEQVKGQA
PNFLWIGCADSRVPEVTIMARKPGDVFVQRNVANQFKPEDDSSQALLNYAIMNVGVTHVM
VVGHTGCGGCIAAFDQPLPTEENPGGTPLVRYLEPIIRLKHSLPEGSDVNDLIKENVKMA
VKNVVNSPTIQGAWEQARKGEFREVFVHGWLYDLSTGNIVDLNVTQGPHPFVDDRVPRA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50339591
n/a
NameBDBM50339591
Synonyms:(+)-xylariamide A | (S)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-4-oxobut-2-enamido)propanoic acid | 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine | CHEMBL463134
TypeSmall organic molecule
Emp. Form.C14H14ClNO6
Mol. Mass.327.717
SMILESCOC(=O)\C=C\C(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: