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