Target
Heat shock protein HSP 90-alpha
Ligand
BDBM32166
Substrate
n/a
Meas. Tech.
Cell-based secondary assay for identifying Hsp90 inhibitors that degrade Hsp90 client protein Her2
IC50
>60000±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:
BDBM32166
Synonyms:
N-[4-amino-3-(5-methoxy-1,3-benzodioxol-4-yl)phenyl]-3-nitro-benzenesulfonamide | N-[4-amino-3-(5-methoxy-1,3-benzodioxol-4-yl)phenyl]-3-nitrobenzenesulfonamide | N-[4-azanyl-3-(5-methoxy-1,3-benzodioxol-4-yl)phenyl]-3-nitro-benzenesulfonamide | TG2-86-1 | cid_16072260
Type:
Small organic molecule
Emp. Form.:
C20H17N3O7S
Mol. Mass.:
443.43
SMILES:
COc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)ccc1N |(3.29,-5.39,;4.62,-4.62,;5.95,-5.39,;5.95,-6.93,;7.29,-7.7,;8.62,-6.93,;10.08,-7.4,;10.98,-6.16,;10.08,-4.92,;8.62,-5.39,;7.29,-4.62,;7.29,-3.08,;5.95,-2.31,;5.95,-.77,;4.62,,;4.62,1.54,;3.08,1.54,;6.16,1.54,;4.62,3.08,;3.29,3.85,;3.29,5.39,;4.62,6.16,;5.95,5.39,;5.95,3.85,;7.29,6.16,;7.29,7.7,;8.62,5.39,;7.29,,;8.62,-.77,;8.62,-2.31,;10.16,-2.31,)|
Structure:
Search PDB for entries with ligand similarity: