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Target
Putative heat shock protein HSP 90-alpha A4
Ligand
BDBM166676
Substrate
n/a
Meas. Tech.
Fluorescence Polarization (FP) Assay
IC50
6.3e+3± 1e+2 nM
Citation
 Musso, L; Cincinelli, R; Giannini, G; Manetti, F; Dallavalle, S Synthesis of 5,6-dihydro-4H-benzo[d]isoxazol-7-one and 5,6-dihydro-4H-isoxazolo[5,4-c]pyridin-7-one derivatives as potential Hsp90 inhibitors. Chem Biol Drug Des 86:1030-5 (2015) [PubMed]  Article 
Target
Name:
Putative heat shock protein HSP 90-alpha A4
Synonyms:
HS904_HUMAN | HSP90AA4P | HSP90AD | HSPCAL2 | Heat-shock protein 90 (Hsp90)
Type:
Protein
Mol. Mass.:
47697.69
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
418
Sequence:
MESLTDPSKLDSGKEPHISLIPNKQDRTLTIVDTGIGMTKADLINNLGTITKSETKVFMEVLQAGADISMIGQFSVGFYSAYSVAEKVTVITKHNNDEQYAWESSLRGSFTEYREFYKSLTINWEDYLAVKHFSVEGQLEFRAFLFVPRLAPFELLETRKKKNKIKLSARRDLIMDNCEELIPEYLNFIRGVVDSEDLPLNIFRETKDQVANSTIVQRLWKHGLEVIYTIEPIDEYCVQQLKEFEGKTLVSVTKEDLELPEDEEEKKKQEEGKQKTKQKKNQSLRTSAKSTYGWTANMERIMKAQALRDNSTTGYMAAKKHLEINPDHSFIDTLRQKAETDKNDKSVKDLVILLYETALLSSDFGLEGPQTHANRIYRMNKLGLGTDEDDPTADDTSAAVTEEMPPLEGDDDTSRMEK
  
Inhibitor
Name:
BDBM166676
Synonyms:
3-(5-chloro-2,4-dihydroxyphenyl)-5,6-dihydro-4H-benzo[d]isoxazol-7-one O-(2-aminoethyl)-oxime hydrochloride (16)
Type:
Small organic molecule
Emp. Form.:
C15H16ClN3O4
Mol. Mass.:
337.758
SMILES:
NCCON=C1CCCc2c(noc12)-c1cc(Cl)c(O)cc1O |w:4.3|
Structure:
Search PDB for entries with ligand similarity: