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Target
Heat shock protein HSP 90-alpha
Ligand
BDBM126043
Substrate
n/a
Meas. Tech.
AlphaScreen Competitive Assay
pH
7.5±n/a
IC50
90±n/a nM
Citation
 Kitade, M; Ohkubo, S; Yoshimura, C; Yamashita, S; Oshiumi, H; Uno, T; Kawai, Y Azabicyclo compound and salt thereof US Patent  US8779142 Publication Date 7/15/2014
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:
BDBM126043
Synonyms:
US8779142, 45
Type:
Small organic molecule
Emp. Form.:
C32H33N5O2
Mol. Mass.:
519.6367
SMILES:
CCCc1cn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 |wU:15.14,wD:18.18,(2.82,-4.88,;3.85,-3.74,;3.38,-2.27,;4.41,-1.13,;5.94,-1.29,;6.57,.12,;8.07,.44,;8.55,1.9,;10.05,2.22,;11.09,1.08,;12.59,1.4,;13.62,.26,;13.07,2.87,;10.61,-.38,;11.64,-1.53,;11.16,-2.99,;12.19,-4.14,;11.72,-5.6,;10.21,-5.92,;9.74,-7.39,;9.18,-4.78,;9.66,-3.31,;9.1,-.7,;5.42,1.15,;5.42,2.69,;4.09,3.46,;2.75,2.69,;2.75,1.15,;1.42,.38,;1.42,-1.16,;.09,-1.93,;-1.25,-1.16,;-2.58,-1.93,;-3.91,-1.16,;-3.91,.38,;-2.58,1.15,;-1.25,.38,;.09,1.15,;4.09,.38,)|
Structure:
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