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Target
Heat shock protein HSP 90-alpha
Ligand
BDBM265227
Substrate
n/a
Meas. Tech.
Fluorescence Polarization Assay
IC50
<10000±n/a nM
Citation
 Drysdale, MJ; Dymock, BW; Finch, H; Webb, P; McDonald, E; James, KE; Cheung, KM; Matthews, TP Isoxazole compounds as inhibitors of heat shock proteins US Patent  US9718793 Publication Date 8/1/2017 
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:
BDBM265227
Synonyms:
US10413550, Example 41r | US9718793, 41r
Type:
Small organic molecule
Emp. Form.:
C28H28ClN3O4
Mol. Mass.:
505.993
SMILES:
CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)c2ccccc12)-c1cc(Cl)c(O)cc1O |(3.87,-4.63,;3.48,-3.14,;1.99,-2.74,;.9,-3.83,;1.3,-5.32,;-.59,-3.43,;-1.83,-4.34,;-3.08,-3.43,;-2.6,-1.97,;-1.06,-1.97,;.03,-.02,;-.74,1.32,;.03,2.65,;1.57,2.65,;2.34,3.98,;3.88,3.98,;4.65,2.65,;6.19,2.65,;6.96,3.98,;6.19,5.32,;4.65,5.32,;2.34,1.32,;3.88,1.32,;4.65,-.02,;3.88,-1.35,;2.34,-1.35,;1.57,-.02,;-3.69,-.88,;-3.29,.61,;-4.38,1.7,;-3.99,3.19,;-5.87,1.3,;-6.96,2.39,;-6.27,-.19,;-5.18,-1.28,;-5.58,-2.76,)|
Structure:
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