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Target
ATP-dependent molecular chaperone HSP82
Ligand
BDBM50296578
Substrate
n/a
Meas. Tech.
ChEMBL_582198 (CHEMBL1059858)
IC50
15400±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:
BDBM50296578
Synonyms:
2-(5-(benzo[d][1,3]dioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)-1-phenylethanone | CHEMBL564708
Type:
Small organic molecule
Emp. Form.:
C23H17N3O3S
Mol. Mass.:
415.464
SMILES:
O=C(CSc1nnc(-c2ccc3OCOc3c2)n1-c1ccccc1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: