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Target
ATP-dependent molecular chaperone HSP82
Ligand
BDBM37653
Substrate
n/a
Meas. Tech.
Fluorescence Cell-Based Secondary Assay to Measure Toxicity of Compounds Not in the Presence of Fluconazole
EC50
35252±2677 nM
Citation
 PubChem, PC Fluorescence Cell-Based Secondary Assay to Measure Toxicity of Compounds Not 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:
Yeast
Description:
gi_994798
Residue:
707
Sequence:
MADAKVETHEFTAEISQLMSLIINTVYSNKEIFLRELISNASDALDKIRYQALSDPSQLESEPELFIRIIPQKDQKVLEIRDSGIGMTKADLVNNLGTIAKSGTKSFMEALSAGADVSMIGQFGVGFYSLFLVADHVQVISKHNDDEQYVWESNAGGKFTVTLDETNERLGRGTMLRLFLKEDQLEYLEEKRIKEVVKKHSEFVAYPIQLVVTKEVEKEVPETEEEDKAAEEDDKKPKLEEVKDEEDEKKEKKTKTVKEEVTETEELNKTKPLWTRNPSDITQDEYNAFYKSISNDWEDPLAVKHFSVEGQLEFRAILFVPKRAPFDAFESKKKKNNIKLYVRRVFITDDAEELIPEWLSFIKGVVDSEDLPLNLSREMLQQNKILKVIRKNIVKKMIETFNEISEDQEQFNQFYTAFSKNIKLGIHEDAQNRQSLAKLLRFYSTKSSEEMTSLSDYVTRMPEHQKNIYYITGESIKAVEKSPFLDALKAKNFEVLFMVDPIDEYAMTQLKEFEDKKLVDITKDFELEESDEEKAAREKEIKEYEPLTKALKDILGDQVEKVVVSYKLVDAPAAIRTGQFGWSANMERIMKAQALRDTTMSSYMSSKKTFEISPSSPIIKELKKKVETDGAEDKTVKDLTTLLFDTALLTSGFTLDEPSNFAHRINRLIALGLNIDDDSEETAVEPEATTTASTDEPAGESAMEEVD
  
Inhibitor
Name:
BDBM37653
Synonyms:
MLS000040232 | cid_661999 | SMR000058017 | 3-[2-benzofuranyl(oxo)methyl]-2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(5-methyl-3-isoxazolyl)-2H-pyrrol-5-one | 3-(1-benzofuran-2-ylcarbonyl)-2-(2,3-dimethoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-4-oxidanyl-2H-pyrrol-5-one | 3-(1-benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one | 4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-3-pyrrolin-2-one
Type:
Small organic molecule
Emp. Form.:
C25H20N2O7
Mol. Mass.:
460.13
SMILES:
COc1cccc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC
Structure:
Search PDB for entries with ligand similarity: