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TargetHeat shock protein HSP 90-alpha
LigandBDBM50013900
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1350239
IC50 39±n/a nM
Citation Ren, JLi, JWang, YChen, WShen, ALiu, HChen, DCao, DLi, YZhang, NXu, YGeng, MHe, JXiong, BShen, J Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization. Bioorg Med Chem Lett24:2525-9 (2014) [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/Hsp90 co-chaperone Cdc37
Synonyms:HSP 86 | HSP86 | HSP90A | HSP90AA1 | HSPC1 | HSPCA | Heat Shock Protein 90 (Hsp90) | Heat shock 86 kDa | Heat shock protein HSP 90 (HSP90) | Heat shock protein HSP 90-alpha (HSP90) | Heat shock protein HSP 90-alpha (HSP90A) | LAP-2 | LPS-associated protein 2 | Lipopolysaccharide-associated protein 2 | Renal carcinoma antigen NY-REN-38 | heat shock protein 90kDa alpha (cytosolic), class A member 1 isoform 2
Type:Molecular Chaperone
Mol. Mass.:84623.45
Organism:Homo sapiens (Human)
Description:P07900
Residue:732
Sequence:
MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIR
YESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFME
ALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPM
GRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKED
KEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRN
PDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNN
IKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKC
LELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDY
CTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKT
LVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIV
TSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVK
DLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLE
GDDDTSRMEEVD
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  Blast E-value cutoff:
BDBM50013900
NameBDBM50013900
Synonyms:CHEMBL3260487
TypeSmall organic molecule
Emp. Form.C23H17N3O5
Mol. Mass.415.3982
SMILESOc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-n1ccc2c(cccc12)[N+]([O-])=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a