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Target
ATP-dependent molecular chaperone HSP82
Ligand
BDBM50296577
Substrate
n/a
Meas. Tech.
ChEMBL_582198 (CHEMBL1059858)
IC50
24600±n/a nM
Citation
 Hong, TJ; Park, H; Kim, YJ; Jeong, JH; Hahn, JS Identification of new Hsp90 inhibitors by structure-based virtual screening. Bioorg Med Chem Lett 19:4839-42 (2009) [PubMed]  Article 
Target
Name:
ATP-dependent molecular chaperone HSP82
Synonyms:
82 kDa heat shock protein | ATP-dependent molecular chaperone HSP82 | HSP82 | HSP82_YEAST | HSP90 | Heat Shock Protein 90 (Hsp90) | Heat shock protein Hsp90 heat-inducible isoform
Type:
Molecular Chaperone
Mol. Mass.:
81369.08
Organism:
Saccharomyces cerevisiae
Description:
Histidine-tagged yeast HSP90 was transformed into E. coli and purified (>90%) by metal affinity, gel filtration, and ion-exchange chromatography.
Residue:
709
Sequence:
MASETFEFQAEITQLMSLIINTVYSNKEIFLRELISNASDALDKIRYKSLSDPKQLETEPDLFIRITPKPEQKVLEIRDSGIGMTKAELINNLGTIAKSGTKAFMEALSAGADVSMIGQFGVGFYSLFLVADRVQVISKSNDDEQYIWESNAGGSFTVTLDEVNERIGRGTILRLFLKDDQLEYLEEKRIKEVIKRHSEFVAYPIQLVVTKEVEKEVPIPEEEKKDEEKKDEEKKDEDDKKPKLEEVDEEEEKKPKTKKVKEEVQEIEELNKTKPLWTRNPSDITQEEYNAFYKSISNDWEDPLYVKHFSVEGQLEFRAILFIPKRAPFDLFESKKKKNNIKLYVRRVFITDEAEDLIPEWLSFVKGVVDSEDLPLNLSREMLQQNKIMKVIRKNIVKKLIEAFNEIAEDSEQFEKFYSAFSKNIKLGVHEDTQNRAALAKLLRYNSTKSVDELTSLTDYVTRMPEHQKNIYYITGESLKAVEKSPFLDALKAKNFEVLFLTDPIDEYAFTQLKEFEGKTLVDITKDFELEETDEEKAEREKEIKEYEPLTKALKEILGDQVEKVVVSYKLLDAPAAIRTGQFGWSANMERIMKAQALRDSSMSSYMSSKKTFEISPKSPIIKELKKRVDEGGAQDKTVKDLTKLLYETALLTSGFSLDEPTSFASRINRLISLGLNIDEDEETETAPEASTAAPVEEVPADTEMEEVD
  
Inhibitor
Name:
BDBM50296577
Synonyms:
5-((1-benzyl-1H-indol-3-yl)methylene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione | CHEMBL564184
Type:
Small organic molecule
Emp. Form.:
C26H18FN3O3
Mol. Mass.:
439.4378
SMILES:
Fc1ccccc1N1C(=O)NC(=O)\C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O
Structure:
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