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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Heat shock protein 75 kDa, mitochondrial | ||
| Ligand | BDBM50450704 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2058208 (CHEMBL4713209) | ||
| IC50 | 791±n/a nM | ||
| Citation |  Mishra, SJ; Liu, W; Beebe, K; Banerjee, M; Kent, CN; Munthali, V; Koren, J; Taylor, JA; Neckers, LM; Holzbeierlein, J; Blagg, BSJ The Development of Hsp90?-Selective Inhibitors to Overcome Detriments Associated with J Med Chem64:1545-1557 (2021) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Heat shock protein 75 kDa, mitochondrial | |||
| Name: | Heat shock protein 75 kDa, mitochondrial | ||
| Synonyms: | HSP75 | TRAP1 | TRAP1_HUMAN | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 80120.13 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_1478164 | ||
| Residue: | 704 | ||
| Sequence: |
| ||
| BDBM50450704 | |||
| n/a | |||
| Name | BDBM50450704 | ||
| Synonyms: | CHEMBL560895 | SNX-2112 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H27F3N4O3 | ||
| Mol. Mass. | 464.4807 | ||
| SMILES | CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.44,2.95,;1.41,3.61,;2.62,3.87,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| | ||
| Structure | 
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