Reaction Details Report a problem with these data
Target
ATP-dependent molecular chaperone HSP82
Ligand
BDBM64942
Substrate
n/a
Meas. Tech.
Fluorescence Cell-Based Secondary Assay to Identify Inhibitors of Resistant C. albicans Growth in the Presence of Fluconazole
EC50
3630±1563 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:
BDBM64942
Synonyms:
2-(3-butyl-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)ethanamide | 2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide | 2-[(3-butyl-4-keto-6-morpholino-quinazolin-2-yl)thio]-N-(3-methoxyphenyl)acetamide | 2-[(3-butyl-6-morpholin-4-yl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]-N-(3-methoxyphenyl)acetamide | 2-[[3-butyl-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methoxyphenyl)acetamide | MLS000095437 | SMR000030991 | cid_3243377
Type:
Small organic molecule
Emp. Form.:
C25H30N4O4S
Mol. Mass.:
482.595
SMILES:
CCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccc(cc2c1=O)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: