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TargetHeat Shock Protein 90 (Hsp90)
LigandBDBM55151
Substrate/Competitorn/a
Meas. Tech.ChEMBL_364998
IC50 2300±n/a nM
Citation Avila, CHadden, MKMa, ZKornilayev, BAYe, QZBlagg, BS High-throughput screening for Hsp90 ATPase inhibitors. Bioorg Med Chem Lett16:3005-8 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Heat Shock Protein 90 (Hsp90)
Name:Heat Shock Protein 90 (Hsp90)
Synonyms:Heat shock protein HSP 90 | Heat shock protein HSP90
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of EBI is 29664
Components:This complex has 2 components.
Component 1
Name:Heat shock protein HSP90
Synonyms:HSP 86 | HSP86 | HSP90A | HSP90AA1 | HSPC1 | HSPCA | Heat Shock Protein 90 (Hsp90) | Heat shock 86 kDa | Heat shock protein HSP 90 (HSP90) | Heat shock protein HSP 90-alpha (HSP90) | Heat shock protein HSP 90-alpha (HSP90A) | LAP-2 | LPS-associated protein 2 | Lipopolysaccharide-associated protein 2 | Renal carcinoma antigen NY-REN-38 | heat shock protein 90kDa alpha (cytosolic), class A member 1 isoform 2
Type:Molecular Chaperone
Mol. Mass.:84623.45
Organism:Homo sapiens (Human)
Description:n/a
Residue:732
Sequence:
MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIR
YESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFME
ALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPM
GRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKED
KEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRN
PDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNN
IKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKC
LELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDY
CTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKT
LVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIV
TSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVK
DLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLE
GDDDTSRMEEVD
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Component 2
Name:HSP90 and hnRNPA2/B1
Synonyms:HSP 84 | HSP 90 | Heat Shock Protein 90 (Hsp90) | Heat shock protein HSP 90 (Hsp90) | Heat shock protein HSP 90-beta
Type:Molecular Chaperone
Mol. Mass.:83229.45
Organism:Homo sapiens (Human)
Description:n/a
Residue:724
Sequence:
MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLT
DPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAG
ADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTK
VILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEE
DKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEE
YGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRV
FIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELA
EDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQ
KSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEG
LELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTA
NMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFE
TALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRM
EEVD
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BDBM55151
NameBDBM55151
Synonyms:1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-ethanone | 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one | 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one | 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one | 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one | CHEMBL209453 | MLS001212148 | SMR000518041 | cid_687937
TypeSmall organic molecule
Emp. Form.C13H12N2O4S
Mol. Mass.292.31
SMILESCc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a