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Target
Heat shock protein HSP 90-alpha
Ligand
BDBM39605
Substrate
n/a
Meas. Tech.
ChEMBL_1629466 (CHEMBL3872092)
Kd
2000±n/a nM
Citation
 Huang, R; Ayine-Tora, DM; Muhammad Rosdi, MN; Li, Y; Reynisson, J; Leung, IKH Virtual screening and biophysical studies lead to HSP90 inhibitors. Bioorg Med Chem Lett 27:277-281 (2017) [PubMed]  Article 
Target
Name:
Heat shock protein HSP 90-alpha
Synonyms:
HS90A_HUMAN | 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:
MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRNPDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNNIKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKCLELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDYCTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKTLVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVKDLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLEGDDDTSRMEEVD
  
Inhibitor
Name:
BDBM39605
Synonyms:
5-[2-(2,4-dihydroxy-5-propyl-phenyl)-2-keto-ethyl]furan-2-carboxylic acid ethyl ester | 5-[2-(2,4-dihydroxy-5-propylphenyl)-2-oxoethyl]-2-furancarboxylic acid ethyl ester | MLS000097854 | SMR000059974 | cid_765919 | ethyl 5-[2-(2,4-dihydroxy-5-propylphenyl)-2-oxoethyl]furan-2-carboxylate | ethyl 5-[2-[2,4-bis(oxidanyl)-5-propyl-phenyl]-2-oxidanylidene-ethyl]furan-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C18H20O6
Mol. Mass.:
332.3478
SMILES:
CCCc1cc(C(=O)Cc2ccc(o2)C(=O)OCC)c(O)cc1O
Structure:
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