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Target
Heat shock protein HSP 90-beta
Ligand
BDBM50386041
Substrate
n/a
Meas. Tech.
ChEMBL_825804 (CHEMBL2044533)
IC50
730±n/a nM
Citation
 Buchstaller, HP; Eggenweiler, HM; Sirrenberg, C; Grädler, U; Musil, D; Hoppe, E; Zimmermann, A; Schwartz, H; März, J; Bomke, J; Wegener, A; Wolf, M Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90. Bioorg Med Chem Lett 22:4396-403 (2012) [PubMed]  Article 
Target
Name:
Heat shock protein HSP 90-beta
Synonyms:
HS90B_HUMAN | HSP 84 | HSP 90 | HSP90AB1 | HSP90B | HSPC2 | HSPCB | Heat Shock Protein 90 (Hsp90) | Heat shock protein HSP 90 (Hsp90)
Type:
Molecular Chaperone
Mol. Mass.:
83229.45
Organism:
Homo sapiens (Human)
Description:
P08238
Residue:
724
Sequence:
MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLTDPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEEDKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRVFIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELAEDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQKSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEGLELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFETALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRMEEVD
  
Inhibitor
Name:
BDBM50386041
Synonyms:
CHEMBL2042881
Type:
Small organic molecule
Emp. Form.:
C25H24ClN3O4
Mol. Mass.:
465.929
SMILES:
COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(Cl)c4)n[nH]c3cc2O)cc1OC
Structure:
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