Reaction Details Report a problem with these data
Target
Heat shock protein HSP 90-beta
Ligand
BDBM225721
Substrate
n/a
Meas. Tech.
FRET Assay
IC50
40.4±n/a nM
Citation
 D3R, DD AbbVie-CSAR HSP90 D3R 408:0 (2016) [PubMed] 
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:
BDBM225721
Synonyms:
hsp90_14
Type:
Small Organic Molecule
Emp. Form.:
C15H11BrN2O5
Mol. Mass.:
379.162
SMILES:
COC(=O)c1ccc2n(-c3cc(Br)c(O)cc3O)c(=O)[nH]c2c1 |(8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.65,.13,;2.68,-1.01,;2.2,-2.48,;3.23,-3.62,;.7,-2.8,;.22,-4.26,;-.33,-1.65,;.14,-.19,;-.89,.96,;1.22,2.84,;-.32,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,)|
Structure:
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