Reaction Details Report a problem with these data
Target
Heat shock protein HSP 90-alpha
Ligand
BDBM50165291
Substrate
n/a
Meas. Tech.
ChEMBL_304333 (CHEMBL839760)
EC50
970±n/a nM
Citation
 Llauger, L; He, H; Kim, J; Aguirre, J; Rosen, N; Peters, U; Davies, P; Chiosis, G Evaluation of 8-arylsulfanyl, 8-arylsulfoxyl, and 8-arylsulfonyl adenine derivatives as inhibitors of the heat shock protein 90. J Med Chem 48:2892-905 (2005) [PubMed]  Article 
Target
Name:
Heat shock protein HSP 90-alpha
Synonyms:
HS90A_MOUSE | Hsp86 | Hsp86-1 | Hsp90aa1 | Hspca
Type:
PROTEIN
Mol. Mass.:
84750.61
Organism:
Mus musculus
Description:
ChEMBL_304333
Residue:
733
Sequence:
MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPSKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEEKEEEKEKEEKESDDKPEIEDVGSDEEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRNPDDITNEEYGEFYKSLTNDWEEHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNNIKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKCLELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDYCTRMKENQKHIYFITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKTLVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVKDLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTVDDTSAAVTEEMPPLEGDDDTSRMEEVD
  
Inhibitor
Name:
BDBM50165291
Synonyms:
8-(3-Methoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine | CHEMBL191241
Type:
Small organic molecule
Emp. Form.:
C17H17N5OS
Mol. Mass.:
339.415
SMILES:
COc1cccc(Sc2nc3c(N)ncnc3n2CCCC#C)c1
Structure:
Search PDB for entries with ligand similarity: