Reaction Details |
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Target | Heat shock protein HSP 90-alpha |
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Ligand | BDBM39605 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1629466 (CHEMBL3872092) |
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Kd | 2000±n/a nM |
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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 Lett27:277-281 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Heat shock protein HSP 90-alpha |
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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: | MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIR
YESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFME
ALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPM
GRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKED
KEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRN
PDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNN
IKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKC
LELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDY
CTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKT
LVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIV
TSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVK
DLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLE
GDDDTSRMEEVD
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BDBM39605 |
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n/a |
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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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