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Target
Heat shock protein HSP 90-alpha
Ligand
BDBM50347496
Substrate
n/a
Meas. Tech.
ChEMBL_754454 (CHEMBL1806079)
IC50
1140±n/a nM
Citation
 Bruncko, M; Tahir, SK; Song, X; Chen, J; Ding, H; Huth, JR; Jin, S; Judge, RA; Madar, DJ; Park, CH; Park, CM; Petros, AM; Tse, C; Rosenberg, SH; Elmore, SW N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors. Bioorg Med Chem Lett 20:7503-6 (2010) [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:
BDBM50347496
Synonyms:
CHEMBL1801579
Type:
Small organic molecule
Emp. Form.:
C24H18ClN3O5S
Mol. Mass.:
495.935
SMILES:
Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2[nH]c1=O |(18.43,-41.71,;17.96,-43.18,;16.45,-43.52,;15.99,-44.98,;14.49,-45.32,;17.02,-46.11,;18.53,-45.79,;19,-44.32,;20.5,-43.99,;16.55,-47.57,;15.09,-48.06,;13.76,-47.3,;12.43,-48.07,;12.42,-49.61,;11.09,-50.38,;9.76,-49.61,;9.76,-48.07,;10.15,-46.57,;11.3,-48,;8.42,-47.3,;7.1,-48.07,;5.77,-47.3,;5.77,-45.76,;4.44,-44.99,;4.44,-43.46,;5.78,-42.68,;7.11,-43.46,;7.1,-44.99,;8.43,-45.76,;13.76,-50.38,;15.1,-49.6,;16.57,-50.07,;17.47,-48.82,;19.01,-48.81,)|
Structure:
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