Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHeat shock protein HSP 90-beta
LigandBDBM50361728
Substrate/Competitorn/a
Meas. Tech.ChEMBL_798935 (CHEMBL1943442)
IC50 40±n/a nM
Citation Baruchello, RSimoni, DGrisolia, GBarbato, GMarchetti, PRondanin, RMangiola, SGiannini, GBrunetti, TAlloatti, DGallo, GCiacci, AVesci, LCastorina, MMilazzo, FMCervoni, MLGuglielmi, MBBarbarino, MFoderà, RPisano, CCabri, W Novel 3,4-isoxazolediamides as potent inhibitors of chaperone heat shock protein 90. J Med Chem54:8592-604 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Heat shock protein HSP 90-beta
Name:Heat shock protein HSP 90-beta
Synonyms:HS90B_HUMAN | HSP 84 | HSP 90 | HSP90AB1 | HSP90B | HSPC2 | HSPCB | Heat Shock Protein 90 (Hsp90) | Heat shock protein HSP 90 (Hsp90)
Type:Molecular Chaperone
Mol. Mass.:83229.45
Organism:Homo sapiens (Human)
Description:P08238
Residue:724
Sequence:
MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLT
DPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAG
ADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTK
VILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEE
DKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEE
YGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRV
FIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELA
EDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQ
KSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEG
LELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTA
NMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFE
TALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRM
EEVD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50361728
n/a
NameBDBM50361728
Synonyms:CHEMBL1941079
TypeSmall organic molecule
Emp. Form.C24H29N5O7
Mol. Mass.499.5164
SMILESCCNC(=O)c1noc(c1NC(=O)c1cc(CN2CCOCC2)on1)-c1cc(C(C)C)c(O)cc1O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: