Reaction Details |
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Target | Heat shock protein HSP 90-alpha |
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Ligand | BDBM81729 |
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Substrate/Competitor | n/a |
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Meas. Tech. | NMR-Based Screening Assay |
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pH | 7.5±0 |
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Temperature | 298.15±0 K |
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Kd | <1.0e+4±n/a nM |
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Citation | Huth, JR; Park, C; Petros, AM; Kunzer, AR; Wendt, MD; Wang, X; Lynch, CL; Mack, JC; Swift, KM; Judge, RA; Chen, J; Richardson, PL; Jin, S; Tahir, SK; Matayoshi, ED; Dorwin, SA; Ladror, US; Severin, JM; Walter, KA; Bartley, DM; Fesik, SW; Elmore, SW; Hajduk, PJ Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies. Chem Biol Drug Des70:1-12 (2007) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, 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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BDBM81729 |
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n/a |
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Name | BDBM81729 |
Synonyms: | HSP90 Inhibitor, 1 | hsp90_125 |
Type | Small organic molecule |
Emp. Form. | C13H10BrN5 |
Mol. Mass. | 316.156 |
SMILES | Nc1nc(N)nc(n1)-c1cc2ccccc2cc1Br |
Structure |
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