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TargetHeat shock protein HSP 90-beta
LigandBDBM50394059
Substrate/Competitorn/a
Meas. Tech.ChEMBL_856085 (CHEMBL2162319)
Ki 3±n/a nM
Citation Davies, NGBrowne, HDavis, BDrysdale, MJFoloppe, NGeoffrey, SGibbons, BHart, THubbard, RJensen, MRMansell, HMassey, AMatassova, NMoore, JDMurray, JPratt, RRay, SRobertson, ARoughley, SDSchoepfer, JScriven, KSimmonite, HStokes, SSurgenor, AWebb, PWood, MWright, LBrough, P Targeting conserved water molecules: design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg Med Chem20:6770-89 (2012) [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
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  Blast E-value cutoff:
BDBM50394059
n/a
NameBDBM50394059
Synonyms:CHEMBL2158569
TypeSmall organic molecule
Emp. Form.C19H18ClN5O3S
Mol. Mass.431.896
SMILESCOc1cc(Cl)c(cc1O)-c1nc(SCC(=O)NC(C)C)nc2[nH]cc(C#N)c12
Structure
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