Reaction Details |
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Target | Heat shock protein HSP 90-beta |
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Ligand | BDBM50003889 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1336952 (CHEMBL3242260) |
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IC50 | 420±n/a nM |
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Citation | Ernst, JT; Neubert, T; Liu, M; Sperry, S; Zuccola, H; Turnbull, A; Fleck, B; Kargo, W; Woody, L; Chiang, P; Tran, D; Chen, W; Snyder, P; Alcacio, T; Nezami, A; Reynolds, J; Alvi, K; Goulet, L; Stamos, D Identification of novel HSP90a/ß isoform selective inhibitors using structure-based drug design. demonstration of potential utility in treating CNS disorders such as Huntington's disease. J Med Chem57:3382-400 (2014) [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-beta |
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Name: | Heat shock protein HSP 90-beta |
Synonyms: | HS90B_HUMAN | HSP 84 | HSP 90 | HSP90AB1 | HSP90B | HSPC2 | HSPCB | Heat Shock Protein 90 (Hsp90) | Heat shock protein HSP 90 (Hsp90) |
Type: | Molecular Chaperone |
Mol. Mass.: | 83229.45 |
Organism: | Homo sapiens (Human) |
Description: | P08238 |
Residue: | 724 |
Sequence: | MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLT
DPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAG
ADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTK
VILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEE
DKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEE
YGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRV
FIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELA
EDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQ
KSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEG
LELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTA
NMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFE
TALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRM
EEVD
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BDBM50003889 |
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n/a |
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Name | BDBM50003889 |
Synonyms: | CHEMBL3235340 |
Type | Small organic molecule |
Emp. Form. | C24H30N4O2 |
Mol. Mass. | 406.5206 |
SMILES | CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NC2CC2)c1 |
Structure |
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