Target
ATP-dependent molecular chaperone HSP82
Ligand
BDBM15359
Substrate
n/a
Meas. Tech.
ChEMBL_304597 (CHEMBL828486)
IC50
8700±n/a nM
Citation
 Cheung, KMMatthews, TPJames, KRowlands, MGBoxall, KJSharp, SYMaloney, ARoe, SMProdromou, CPearl, LHAherne, GWMcDonald, EWorkman, P The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors. Bioorg Med Chem Lett 15:3338-43 (2005) [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:
BDBM15359
Synonyms:
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-en-1-ylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate | 17-(Allylamino)geldanamycin | 17-AAG | 17AAG | CHEMBL109480 | GLD-36 | Tanespimycin
Type:
Small organic molecule
Emp. Form.:
C31H43N3O8
Mol. Mass.:
585.6884
SMILES:
CO[C@H]1C[C@H](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)c2N=CC=C |r,w:16.16,38.39,t:28|
Structure:
Search PDB for entries with ligand similarity: