Reaction Details Report a problem with these data
Target
ATP-dependent molecular chaperone HSP82
Ligand
BDBM42465
Substrate
n/a
Meas. Tech.
Fluorescence Cell-Based Secondary Assay to Identify Inhibitors of Resistant C. albicans Growth in the Presence of Fluconazole
EC50
<120±0 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:
BDBM42465
Synonyms:
3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-amide | 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide | 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-4-isoxazolecarboxamide | 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-isoxazole-4-carboxamide | MLS000030630 | SMR000010980 | cid_649757
Type:
Small organic molecule
Emp. Form.:
C19H14ClN3O2S
Mol. Mass.:
383.851
SMILES:
Cc1onc(c1C(=O)Nc1sc2CCCc2c1C#N)-c1ccccc1Cl
Structure:
Search PDB for entries with ligand similarity: