Reaction Details Report a problem with these data
Target
Heat shock protein HSP 90-alpha
Ligand
BDBM32151
Substrate
n/a
Meas. Tech.
Cell-based secondary assay for identifying Hsp90 inhibitors that degrade Hsp90 client protein Her2
IC50
>50000±n/a nM
Citation
 PubChem, PC Cell-based secondary assay for identifying Hsp90 inhibitors that degrade Hsp90 client protein Her2 PubChem Bioassay (2007)[AID] 
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:
BDBM32151
Synonyms:
N-[4-fluoranyl-3-(5-oxidanyl-1,3-benzodioxol-4-yl)phenyl]-4-methyl-benzenesulfonamide | N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]-4-methyl-benzenesulfonamide | N-[4-fluoro-3-(5-hydroxy-1,3-benzodioxol-4-yl)phenyl]-4-methylbenzenesulfonamide | TG1-218-1 | cid_16072245
Type:
Small organic molecule
Emp. Form.:
C20H16FNO5S
Mol. Mass.:
401.408
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(c1)-c1c2OCOc2ccc1O |(9.24,7.7,;9.24,6.16,;10.58,5.39,;10.58,3.85,;9.24,3.08,;7.91,3.85,;7.91,5.39,;9.24,1.54,;10.78,1.54,;7.7,1.54,;9.24,,;7.91,-.77,;6.57,,;5.24,-.77,;5.24,-2.31,;3.91,-3.08,;6.57,-3.08,;7.91,-2.31,;6.57,-4.62,;7.91,-5.39,;9.37,-4.92,;10.26,-6.16,;9.37,-7.4,;7.91,-6.93,;6.57,-7.7,;5.24,-6.93,;5.24,-5.39,;3.91,-4.62,)|
Structure:
Search PDB for entries with ligand similarity: