Reaction Details Report a problem with these data
Target
Heat shock protein HSP 90-alpha
Ligand
BDBM110224
Substrate
n/a
Meas. Tech.
Fluorescence Polarization Assay
pH
7.3±0
IC50
10±0 nM
Citation
 Lawson, JD; Co, EW; Stafford, JA HSP90 inhibitors US Patent  US8618290 Publication Date 12/31/2013 
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:
BDBM110224
Synonyms:
US8618290, 65
Type:
Small organic molecule
Emp. Form.:
C27H31FN6O3
Mol. Mass.:
506.5718
SMILES:
COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC2CC[C@H](O)CC2)=N1 |r,wU:15.16,wD:32.35,c:39,(-4.67,-5.52,;-3.33,-4.75,;-2,-5.52,;-2,-7.06,;-.67,-7.83,;.67,-7.06,;.67,-5.52,;-.67,-4.75,;2,-4.75,;3.33,-5.52,;4.67,-4.75,;6,-5.52,;4.67,-3.21,;3.33,-2.44,;2,-3.21,;.67,-2.44,;-.67,-3.21,;-2,-2.44,;-3.33,-3.21,;-4.67,-2.44,;-6,-3.21,;-4.67,-.9,;-3.33,-.13,;-3.33,1.41,;-2,-.9,;-.67,-.13,;-.67,1.41,;.67,2.18,;.67,3.72,;2,4.49,;2,6.03,;3.33,6.8,;4.67,6.03,;6,6.8,;4.67,4.49,;3.33,3.72,;.67,-.9,)|
Structure:
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