| Reaction Details |
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 | Report a problem with these data |
| Target | Heat shock protein HSP 90-alpha/90-beta |
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| Ligand | BDBM50486035 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_883046 (CHEMBL2210690) |
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| IC50 | 21±n/a nM |
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| Citation |  Bussenius, J; Blazey, CM; Aay, N; Anand, NK; Arcalas, A; Baik, T; Bowles, OJ; Buhr, CA; Costanzo, S; Curtis, JK; DeFina, SC; Dubenko, L; Heuer, TS; Huang, P; Jaeger, C; Joshi, A; Kennedy, AR; Kim, AI; Lara, K; Lee, J; Li, J; Lougheed, JC; Ma, S; Malek, S; Manalo, JC; Martini, JF; McGrath, G; Nicoll, M; Nuss, JM; Pack, M; Peto, CJ; Tsang, TH; Wang, L; Womble, SW; Yakes, M; Zhang, W; Rice, KD Discovery of XL888: a novel tropane-derived small molecule inhibitor of HSP90. Bioorg Med Chem Lett22:5396-404 (2012) [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/90-beta |
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| Name: | Heat shock protein HSP 90-alpha/90-beta |
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| Synonyms: | Heat Shock Protein 90 (Hsp90) | Heat shock protein HSP 90 | Heat shock protein HSP90 |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 29664 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Heat shock protein HSP 90-alpha |
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| 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 |
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| Type: | Molecular Chaperone |
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| Mol. Mass.: | 84623.45 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P07900 |
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| Residue: | 732 |
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| Sequence: | MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIR
YESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFME
ALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPM
GRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKED
KEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRN
PDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNN
IKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKC
LELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDY
CTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKT
LVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIV
TSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVK
DLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLE
GDDDTSRMEEVD
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| Component 2 |
| Name: | Heat shock protein HSP 90-beta |
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| Synonyms: | HS90B_HUMAN | HSP 84 | HSP 90 | HSP90AB1 | HSP90B | HSPC2 | HSPCB | Heat Shock Protein 90 (Hsp90) | Heat shock protein HSP 90 (Hsp90) |
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| Type: | Molecular Chaperone |
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| Mol. Mass.: | 83229.45 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P08238 |
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| Residue: | 724 |
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| Sequence: | MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLT
DPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAG
ADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTK
VILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEE
DKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEE
YGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRV
FIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELA
EDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQ
KSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEG
LELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTA
NMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFE
TALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRM
EEVD
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| BDBM50486035 |
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| n/a |
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| Name | BDBM50486035 |
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| Synonyms: | CHEMBL2204498 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H35N5O3 |
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| Mol. Mass. | 489.6092 |
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| SMILES | CC(C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)C2CC2)c(C)cc1C(N)=O |TLB:18:17:13.14:11.10.16,9:10:13.14:17| |
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| Structure | 
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