Reaction Details |
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Target | ATP-dependent molecular chaperone HSP82 |
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Ligand | BDBM20732 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_582198 (CHEMBL1059858) |
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IC50 | 2300±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 |
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: | MASETFEFQAEITQLMSLIINTVYSNKEIFLRELISNASDALDKIRYKSLSDPKQLETEP
DLFIRITPKPEQKVLEIRDSGIGMTKAELINNLGTIAKSGTKAFMEALSAGADVSMIGQF
GVGFYSLFLVADRVQVISKSNDDEQYIWESNAGGSFTVTLDEVNERIGRGTILRLFLKDD
QLEYLEEKRIKEVIKRHSEFVAYPIQLVVTKEVEKEVPIPEEEKKDEEKKDEEKKDEDDK
KPKLEEVDEEEEKKPKTKKVKEEVQEIEELNKTKPLWTRNPSDITQEEYNAFYKSISNDW
EDPLYVKHFSVEGQLEFRAILFIPKRAPFDLFESKKKKNNIKLYVRRVFITDEAEDLIPE
WLSFVKGVVDSEDLPLNLSREMLQQNKIMKVIRKNIVKKLIEAFNEIAEDSEQFEKFYSA
FSKNIKLGVHEDTQNRAALAKLLRYNSTKSVDELTSLTDYVTRMPEHQKNIYYITGESLK
AVEKSPFLDALKAKNFEVLFLTDPIDEYAFTQLKEFEGKTLVDITKDFELEETDEEKAER
EKEIKEYEPLTKALKEILGDQVEKVVVSYKLLDAPAAIRTGQFGWSANMERIMKAQALRD
SSMSSYMSSKKTFEISPKSPIIKELKKRVDEGGAQDKTVKDLTKLLYETALLTSGFSLDE
PTSFASRINRLISLGLNIDEDEETETAPEASTAAPVEEVPADTEMEEVD
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BDBM20732 |
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n/a |
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Name | BDBM20732 |
Synonyms: | (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate | BODIPY-labeled Geldanamycin | CHEMBL278315 | GM-BODIPY | Geldanamycin | geldanomycin |
Type | n/a |
Emp. Form. | C29H40N2O9 |
Mol. Mass. | 560.6359 |
SMILES | CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2OC |r,w:16.16,6.6,t:28| |
Structure |
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