Reaction Details Report a problem with these data
Target
Heat shock protein HSP 90-beta
Ligand
BDBM50347505
Substrate
n/a
Meas. Tech.
FRET Assay
IC50
72.1±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:
BDBM50347505
Synonyms:
CHEMBL1801573 | hsp90_31
Type:
Small organic molecule
Emp. Form.:
C21H16ClN3O4
Mol. Mass.:
409.822
SMILES:
Oc1cc(O)c(cc1Cl)-n1c2ccc(CNC(=O)c3ccccc3)cc2[nH]c1=O |(15.02,-4.67,;14.56,-6.13,;13.05,-6.47,;12.59,-7.94,;11.08,-8.27,;13.62,-9.06,;15.13,-8.74,;15.6,-7.27,;17.1,-6.95,;13.15,-10.53,;11.69,-11.01,;10.35,-10.25,;9.03,-11.02,;9.02,-12.56,;7.69,-13.33,;6.36,-12.56,;6.36,-11.02,;7.69,-10.25,;5.02,-10.25,;5.03,-8.71,;3.7,-7.94,;2.37,-8.71,;2.37,-10.26,;3.7,-11.02,;10.36,-13.33,;11.7,-12.56,;13.17,-13.02,;14.07,-11.77,;15.61,-11.76,)|
Structure:
Search PDB for entries with ligand similarity: