Reaction Details Report a problem with these data
Target
Heat shock protein HSP 90-beta
Ligand
BDBM50266103
Substrate
n/a
Meas. Tech.
ChEMBL_553543 (CHEMBL958726)
Kd
4000±n/a nM
Citation
 Congreve, M; Chessari, G; Tisi, D; Woodhead, AJ Recent developments in fragment-based drug discovery. J Med Chem 51:3661-80 (2008) [PubMed]  Article 
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:
BDBM50266103
Synonyms:
(E)-3-(2-((2-amino-6-methylpyrimidin-4-yl)ethynyl)benzylideneamino)oxazolidin-2-one | (E)-3-(2-(2-(2-amino-6-methylpyrimidin-4-yl)ethynyl)benzylideneamino)oxazolidin-2-one | CHEMBL514440
Type:
Small organic molecule
Emp. Form.:
C17H15N5O2
Mol. Mass.:
321.3333
SMILES:
Cc1cc(nc(N)n1)C#Cc1ccccc1\C=N\N1CCOC1=O
Structure:
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