| Reaction Details |
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 | Report a problem with these data |
| Target | Heat shock protein HSP 90-beta |
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| Ligand | BDBM50180301 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_329521 (CHEMBL859805) |
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| EC50 | 50.4±n/a nM |
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| Citation |  He, H; Zatorska, D; Kim, J; Aguirre, J; Llauger, L; She, Y; Wu, N; Immormino, RM; Gewirth, DT; Chiosis, G Identification of potent water soluble purine-scaffold inhibitors of the heat shock protein 90. J Med Chem49:381-90 (2006) [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 |
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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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| BDBM50180301 |
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| n/a |
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| Name | BDBM50180301 |
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| Synonyms: | 2-FLUORO-8-[(6-IODO-1,3-BENZODIOXOL-5-YL)METHYL]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE | 2-fluoro-8-((6-iodobenzo[d][1,3]dioxol-5-yl)methyl)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine | 2-fluoro-8-(6-iodo-benzo[1,3]dioxol-5-ylmethyl)-9-(3-isopropylamino-propyl)adenine | CHEMBL200001 | US10336757, Compound PU-DZ8 | US10676476, Example 8 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H22FIN6O2 |
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| Mol. Mass. | 512.3199 |
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| SMILES | CC(C)NCCCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12 |
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| Structure | 
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