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Target
Carbonic anhydrase
Ligand
BDBM50216277
Substrate
n/a
Meas. Tech.
ChEMBL_736725 (CHEMBL1695106)
Ki
770±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:
BDBM50216277
Synonyms:
4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-diyl)bis(2-methoxyphenol) | 8-beta,8'-alpha-dimethyl-7-alpha,7'-beta-bis(3-methoxy-4-hydroxy-phenyl)cyclobutane | CHEMBL228274 | endiandrin A
Type:
Small organic molecule
Emp. Form.:
C20H24O4
Mol. Mass.:
328.4022
SMILES:
COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 |r|
Structure:
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