Reaction Details Report a problem with these data
Target
Heat shock protein HSP 90-beta
Ligand
BDBM50347495
Substrate
n/a
Meas. Tech.
FRET Assay
IC50
30.4±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:
BDBM50347495
Synonyms:
CHEMBL1801578 | hsp90_39
Type:
Small organic molecule
Emp. Form.:
C24H18ClN3O5S
Mol. Mass.:
495.935
SMILES:
Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2[nH]c1=O |(43.41,-31.6,;42.94,-33.07,;41.43,-33.41,;40.97,-34.87,;39.47,-35.21,;42,-36,;43.51,-35.68,;43.98,-34.21,;45.48,-33.88,;41.54,-37.46,;40.07,-37.95,;38.74,-37.18,;37.41,-37.96,;37.41,-39.5,;36.07,-40.27,;34.74,-39.5,;34.74,-37.96,;35.13,-36.46,;36.22,-38,;33.41,-37.19,;32.08,-37.96,;30.75,-37.19,;30.75,-35.64,;32.08,-34.87,;32.09,-33.35,;33.41,-32.58,;34.74,-33.36,;34.74,-34.89,;33.41,-35.65,;38.74,-40.27,;40.08,-39.49,;41.55,-39.96,;42.45,-38.71,;43.99,-38.7,)|
Structure:
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