Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHeat shock protein HSP 90-alpha
LigandBDBM50165268
Substrate/Competitorn/a
Meas. Tech.ChEMBL_304333 (CHEMBL839760)
EC50 30400±n/a nM
Citation Llauger, LHe, HKim, JAguirre, JRosen, NPeters, UDavies, PChiosis, G Evaluation of 8-arylsulfanyl, 8-arylsulfoxyl, and 8-arylsulfonyl adenine derivatives as inhibitors of the heat shock protein 90. J Med Chem48:2892-905 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Heat shock protein HSP 90-alpha
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:
MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIR
YESLTDPSKLDSGKELHINLIPSKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFME
ALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPM
GRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEE
KEEEKEKEEKESDDKPEIEDVGSDEEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTR
NPDDITNEEYGEFYKSLTNDWEEHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKN
NIKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKK
CLELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKD
YCTRMKENQKHIYFITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGK
TLVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCI
VTSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSV
KDLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTVDDTSAAVTEEMPPL
EGDDDTSRMEEVD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50165268
n/a
NameBDBM50165268
Synonyms:8-(3,5-Dichloro-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine | CHEMBL192013
TypeSmall organic molecule
Emp. Form.C16H13Cl2N5S
Mol. Mass.378.279
SMILESNc1ncnc2n(CCCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: