| Reaction Details |
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 | Report a problem with these data |
| Target | ATP-dependent molecular chaperone HSP82 |
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| Ligand | BDBM50296577 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_582198 (CHEMBL1059858) |
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| IC50 | 24600±n/a nM |
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| Citation |  Hong, TJ; Park, H; Kim, YJ; Jeong, JH; Hahn, JS Identification of new Hsp90 inhibitors by structure-based virtual screening. Bioorg Med Chem Lett19:4839-42 (2009) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| ATP-dependent molecular chaperone HSP82 |
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| Name: | ATP-dependent molecular chaperone HSP82 |
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| 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 |
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| Type: | Molecular Chaperone |
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| Mol. Mass.: | 81369.08 |
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| Organism: | Saccharomyces cerevisiae |
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| Description: | Histidine-tagged yeast HSP90 was transformed into E. coli and purified (>90%) by metal affinity, gel filtration, and ion-exchange chromatography. |
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| Residue: | 709 |
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| Sequence: | MASETFEFQAEITQLMSLIINTVYSNKEIFLRELISNASDALDKIRYKSLSDPKQLETEP
DLFIRITPKPEQKVLEIRDSGIGMTKAELINNLGTIAKSGTKAFMEALSAGADVSMIGQF
GVGFYSLFLVADRVQVISKSNDDEQYIWESNAGGSFTVTLDEVNERIGRGTILRLFLKDD
QLEYLEEKRIKEVIKRHSEFVAYPIQLVVTKEVEKEVPIPEEEKKDEEKKDEEKKDEDDK
KPKLEEVDEEEEKKPKTKKVKEEVQEIEELNKTKPLWTRNPSDITQEEYNAFYKSISNDW
EDPLYVKHFSVEGQLEFRAILFIPKRAPFDLFESKKKKNNIKLYVRRVFITDEAEDLIPE
WLSFVKGVVDSEDLPLNLSREMLQQNKIMKVIRKNIVKKLIEAFNEIAEDSEQFEKFYSA
FSKNIKLGVHEDTQNRAALAKLLRYNSTKSVDELTSLTDYVTRMPEHQKNIYYITGESLK
AVEKSPFLDALKAKNFEVLFLTDPIDEYAFTQLKEFEGKTLVDITKDFELEETDEEKAER
EKEIKEYEPLTKALKEILGDQVEKVVVSYKLLDAPAAIRTGQFGWSANMERIMKAQALRD
SSMSSYMSSKKTFEISPKSPIIKELKKRVDEGGAQDKTVKDLTKLLYETALLTSGFSLDE
PTSFASRINRLISLGLNIDEDEETETAPEASTAAPVEEVPADTEMEEVD
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| BDBM50296577 |
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| n/a |
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| Name | BDBM50296577 |
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| Synonyms: | 5-((1-benzyl-1H-indol-3-yl)methylene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione | CHEMBL564184 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H18FN3O3 |
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| Mol. Mass. | 439.4378 |
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| SMILES | Fc1ccccc1N1C(=O)NC(=O)\C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O |
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| Structure | 
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