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Target
Heat shock protein HSP 90-alpha
Ligand
BDBM50347492
Substrate
n/a
Meas. Tech.
ChEMBL_754453 (CHEMBL1806078)
IC50
50±n/a nM
Citation
 Bruncko, M; Tahir, SK; Song, X; Chen, J; Ding, H; Huth, JR; Jin, S; Judge, RA; Madar, DJ; Park, CH; Park, CM; Petros, AM; Tse, C; Rosenberg, SH; Elmore, SW N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors. Bioorg Med Chem Lett 20:7503-6 (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:
BDBM50347492
Synonyms:
CHEMBL1801574
Type:
Small organic molecule
Emp. Form.:
C15H14ClN3O5S
Mol. Mass.:
383.807
SMILES:
CS(=O)(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1 |(31.19,-23.25,;32.52,-24.02,;32.91,-22.53,;34.12,-23.89,;32.52,-25.56,;33.85,-26.33,;35.18,-25.56,;35.19,-24.02,;36.51,-23.25,;37.85,-24.01,;39.31,-23.53,;39.78,-22.06,;41.29,-21.74,;41.75,-20.28,;43.26,-19.95,;40.72,-19.14,;41.18,-17.67,;39.21,-19.47,;38.75,-20.94,;37.24,-21.27,;40.23,-24.77,;41.77,-24.76,;39.33,-26.02,;37.86,-25.55,;36.52,-26.33,)|
Structure:
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