Reaction Details Report a problem with these data
Target
ATP-dependent molecular chaperone HSP82
Ligand
BDBM64907
Substrate
n/a
Meas. Tech.
Fluorescence Cell-Based Secondary Assay to Identify Inhibitors of Resistant C. albicans Growth in the Presence of Fluconazole
EC50
1682±1184 nM
Citation
 PubChem, PC Fluorescence Cell-Based Secondary Assay to Identify Inhibitors of Resistant C. albicans Growth in the Presence of Fluconazole PubChem Bioassay (2010)[AID] 
Target
Name:
ATP-dependent molecular chaperone HSP82
Synonyms:
heat shock protein 90
Type:
Enzyme Catalytic Domain
Mol. Mass.:
80784.12
Organism:
Candida albicans
Description:
gi_994798
Residue:
707
Sequence:
MADAKVETHEFTAEISQLMSLIINTVYSNKEIFLRELISNASDALDKIRYQALSDPSQLESEPELFIRIIPQKDQKVLEIRDSGIGMTKADLVNNLGTIAKSGTKSFMEALSAGADVSMIGQFGVGFYSLFLVADHVQVISKHNDDEQYVWESNAGGKFTVTLDETNERLGRGTMLRLFLKEDQLEYLEEKRIKEVVKKHSEFVAYPIQLVVTKEVEKEVPETEEEDKAAEEDDKKPKLEEVKDEEDEKKEKKTKTVKEEVTETEELNKTKPLWTRNPSDITQDEYNAFYKSISNDWEDPLAVKHFSVEGQLEFRAILFVPKRAPFDAFESKKKKNNIKLYVRRVFITDDAEELIPEWLSFIKGVVDSEDLPLNLSREMLQQNKILKVIRKNIVKKMIETFNEISEDQEQFNQFYTAFSKNIKLGIHEDAQNRQSLAKLLRFYSTKSSEEMTSLSDYVTRMPEHQKNIYYITGESIKAVEKSPFLDALKAKNFEVLFMVDPIDEYAMTQLKEFEDKKLVDITKDFELEESDEEKAAREKEIKEYEPLTKALKDILGDQVEKVVVSYKLVDAPAAIRTGQFGWSANMERIMKAQALRDTTMSSYMSSKKTFEISPSSPIIKELKKKVETDGAEDKTVKDLTTLLFDTALLTSGFTLDEPSNFAHRINRLIALGLNIDDDSEETAVEPEATTTASTDEPAGESAMEEVD
  
Inhibitor
Name:
BDBM64907
Synonyms:
2-[4-(2-phenoxyethoxy)benzyl]quinuclidin-3-one;hydrochloride | 2-[[4-(2-phenoxyethoxy)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-one;hydrochloride | MLS000040273 | SMR000045109 | cid_6603672
Type:
Small organic molecule
Emp. Form.:
C22H25NO3
Mol. Mass.:
351.4388
SMILES:
[H]C12CCN(CC1)C(Cc1ccc(OCCOc3ccccc3)cc1)C2=O |TLB:8:7:2.3:6.5,THB:26:25:2.3:6.5,(12.06,2.4,;11.57,3.85,;7.73,2.16,;8.5,.83,;11.17,2.37,;13.99,1.2,;14.39,2.69,;9.66,5.16,;8.18,5.56,;7.78,7.05,;8.87,8.14,;8.47,9.62,;6.98,10.02,;6.58,11.51,;5.09,11.91,;4.69,13.4,;3.21,13.8,;2.81,15.28,;3.9,16.37,;3.5,17.86,;2.01,18.26,;.92,17.17,;1.32,15.68,;5.89,8.93,;6.29,7.45,;11,5.93,;11.4,7.42,)|
Structure:
Search PDB for entries with ligand similarity: