Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHeat shock protein HSP 90-beta
LigandBDBM50003893
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1336952 (CHEMBL3242260)
IC50 930±n/a nM
Citation Ernst, JTNeubert, TLiu, MSperry, SZuccola, HTurnbull, AFleck, BKargo, WWoody, LChiang, PTran, DChen, WSnyder, PAlcacio, TNezami, AReynolds, JAlvi, KGoulet, LStamos, D Identification of novel HSP90a/ß isoform selective inhibitors using structure-based drug design. demonstration of potential utility in treating CNS disorders such as Huntington's disease. J Med Chem57:3382-400 (2014) [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:
BDBM50003893
n/a
NameBDBM50003893
Synonyms:CHEMBL3235344
TypeSmall organic molecule
Emp. Form.C26H36N4O2
Mol. Mass.436.5896
SMILESCN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NCC(C)(C)C)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: