Target
Heat shock protein HSP 90-alpha
Ligand
BDBM210952
Substrate
n/a
Meas. Tech.
Fluorescence Polarization (FP) Assay
pH
7.3±n/a
Kd
>1.00e+5±n/a nM
Comments
extracted
Citation
 Mishra, SJGhosh, SStothert, ARDickey, CABlagg, BS Transformation of the Non-Selective Aminocyclohexanol-Based Hsp90 Inhibitor into a Grp94-Seletive Scaffold. ACS Chem Biol 12:244-253 (2017) [PubMed]  Article 
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:
BDBM210952
Synonyms:
4-(2-(3-chlorobenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-4-hydroxycyclohexyl)amino)benzamide (8c) | US10975030, Compound 8c
Type:
Small organic molecule
Emp. Form.:
C24H26ClN3O2
Mol. Mass.:
423.935
SMILES:
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1cccc(Cl)c1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;11.73,-3.96,;9.12,-3.41,)|
Structure:
Search PDB for entries with ligand similarity: