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Target
Heat shock protein HSP 90-alpha
Ligand
BDBM50323781
Substrate
n/a
Meas. Tech.
ChEMBL_647264 (CHEMBL1217470)
IC50
5100±n/a nM
Citation
 Sekiguchi, H; Muranaka, K; Osada, A; Ichikawa, S; Matsuda, A Efficient synthesis of Hsp90 inhibitor dimers as potential antitumor agents. Bioorg Med Chem 18:5732-7 (2010) [PubMed]  Article 
Target
Name:
Heat shock protein HSP 90-alpha
Synonyms:
HS90A_HUMAN | 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:
P07900
Residue:
732
Sequence:
MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRNPDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNNIKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKCLELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDYCTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKTLVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVKDLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLEGDDDTSRMEEVD
  
Inhibitor
Name:
BDBM50323781
Synonyms:
9,9'-(4,4'-(1,1'-(3,6,9,12,15-pentaoxaheptadecane-1,17-diyl)bis(1H-1,2,3-triazole-4,1-diyl))bis(butane-4,1-diyl))bis(8-(6-bromobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-6-amine) | CHEMBL1213893
Type:
Small organic molecule
Emp. Form.:
C48H56Br2N16O9S2
Mol. Mass.:
1224.998
SMILES:
Nc1ncnc2n(CCCCc3cn(CCOCCOCCOCCOCCOCCn4cc(CCCCn5c(Sc6cc7OCOc7cc6Br)nc6c(N)ncnc56)nn4)nn3)c(Sc3cc4OCOc4cc3Br)nc12
Structure:
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