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Target
ATP-dependent molecular chaperone HSP82
Ligand
BDBM15385
Substrate
BDBM2
Meas. Tech.
Colorimetric Determination of ATPase Activity
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
17100±9000 nM
Citation
 Wright, L; Barril, X; Dymock, B; Sheridan, L; Surgenor, A; Beswick, M; Drysdale, M; Collier, A; Massey, A; Davies, N; Fink, A; Fromont, C; Aherne, W; Boxall, K; Sharp, S; Workman, P; Hubbard, RE Structure-activity relationships in purine-based inhibitor binding to HSP90 isoforms. Chem Biol 11:775-85 (2004) [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:
BDBM15385
Synonyms:
8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-9H-purin-6-amine | 8-(2H-1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-9H-purin-6-amine | CHEMBL109822 | PUX | Purine-Based Inhibitor 12
Type:
Small organic molecule
Emp. Form.:
C17H18FN5O2
Mol. Mass.:
343.3555
SMILES:
CCCCn1c(Cc2ccc3OCOc3c2)nc2c(N)nc(F)nc12
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM2
Synonyms:
({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid | ATP | Brimonidine ATP | CHEMBL14249
Type:
Nucleoside or nucleotide
Emp. Form.:
C10H16N5O13P3
Mol. Mass.:
507.181
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Structure:
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