Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM50339587
Substrate
n/a
Meas. Tech.
ChEMBL_736725 (CHEMBL1695106)
Ki
840±n/a nM
Citation
 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Mühlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Natural product-based phenols as novel probes for mycobacterial and fungal carbonic anhydrases. J Med Chem 54:1682-92 (2011) [PubMed]  Article 
Target
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:
MPFHAEPLKPSDEIDMDLGHSVAAQKFKEIREVLEGNRYWARKVTSEEPEFMAEQVKGQAPNFLWIGCADSRVPEVTIMARKPGDVFVQRNVANQFKPEDDSSQALLNYAIMNVGVTHVMVVGHTGCGGCIAAFDQPLPTEENPGGTPLVRYLEPIIRLKHSLPEGSDVNDLIKENVKMAVKNVVNSPTIQGAWEQARKGEFREVFVHGWLYDLSTGNIVDLNVTQGPHPFVDDRVPRA
  
Inhibitor
Name:
BDBM50339587
Synonyms:
2-(4-hydroxyphenyl)acetamide | 4-Hydroxyphenylacetamide | CHEMBL447310 | p-hydroxyphenylacetamide
Type:
Small organic molecule
Emp. Form.:
C8H9NO2
Mol. Mass.:
151.1626
SMILES:
NC(=O)Cc1ccc(O)cc1
Structure:
Search PDB for entries with ligand similarity: