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Target
Heat shock protein 90 homolog
Ligand
BDBM551739
Substrate
n/a
Meas. Tech.
FP-based equilibrium competition assay
EC50
1043±n/a nM
Citation
 Brown, LE; Huang, DS; Cowen, LE; Whitesell, L; Marcyk, P Hsp90 inhibitors and uses thereof US Patent  US11312722 Publication Date 4/26/2022 
Target
Name:
Heat shock protein 90 homolog
Synonyms:
HSP90 | HSP90_CANAL
Type:
Protein
Mol. Mass.:
80784.12
Organism:
Yeast
Description:
P46598
Residue:
707
Sequence:
MADAKVETHEFTAEISQLMSLIINTVYSNKEIFLRELISNASDALDKIRYQALSDPSQLESEPELFIRIIPQKDQKVLEIRDSGIGMTKADLVNNLGTIAKSGTKSFMEALSAGADVSMIGQFGVGFYSLFLVADHVQVISKHNDDEQYVWESNAGGKFTVTLDETNERLGRGTMLRLFLKEDQLEYLEEKRIKEVVKKHSEFVAYPIQLVVTKEVEKEVPETEEEDKAAEEDDKKPKLEEVKDEEDEKKEKKTKTVKEEVTETEELNKTKPLWTRNPSDITQDEYNAFYKSISNDWEDPLAVKHFSVEGQLEFRAILFVPKRAPFDAFESKKKKNNIKLYVRRVFITDDAEELIPEWLSFIKGVVDSEDLPLNLSREMLQQNKILKVIRKNIVKKMIETFNEISEDQEQFNQFYTAFSKNIKLGIHEDAQNRQSLAKLLRFYSTKSSEEMTSLSDYVTRMPEHQKNIYYITGESIKAVEKSPFLDALKAKNFEVLFMVDPIDEYAMTQLKEFEDKKLVDITKDFELEESDEEKAAREKEIKEYEPLTKALKDILGDQVEKVVVSYKLVDAPAAIRTGQFGWSANMERIMKAQALRDTTMSSYMSSKKTFEISPSSPIIKELKKKVETDGAEDKTVKDLTTLLFDTALLTSGFTLDEPSNFAHRINRLIALGLNIDDDSEETAVEPEATTTASTDEPAGESAMEEVD
  
Inhibitor
Name:
BDBM551739
Synonyms:
US11312722, Compound 29
Type:
Small organic molecule
Emp. Form.:
C32H27FN4O4
Mol. Mass.:
550.5796
SMILES:
COc1ccc(Cn2nc(cc2Nc2cc(O)cc(O)c2C(=O)N2Cc3ccc(F)cc3C2)-c2ccccc2)cc1
Structure:
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