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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Endoplasmin | ||
| Ligand | BDBM50439623 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_977713 (CHEMBL2424070) | ||
| Kd | 6.6±n/a nM | ||
| Citation |  Taldone, T; Patel, PD; Patel, M; Patel, HJ; Evans, CE; Rodina, A; Ochiana, S; Shah, SK; Uddin, M; Gewirth, D; Chiosis, G Experimental and structural testing module to analyze paralogue-specificity and affinity in the Hsp90 inhibitors series. J Med Chem56:6803-18 (2013) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Endoplasmin | |||
| Name: | Endoplasmin | ||
| Synonyms: | ENPL_CANLF | GRP94 | HSP90B1 | Heat shock protein 90 beta | TRA1 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 92464.42 | ||
| Organism: | Canis familiaris | ||
| Description: | ChEMBL_1478277 | ||
| Residue: | 804 | ||
| Sequence: |
| ||
| BDBM50439623 | |||
| n/a | |||
| Name | BDBM50439623 | ||
| Synonyms: | CHEMBL2419342 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C36H26IN7O7S2 | ||
| Mol. Mass. | 859.669 | ||
| SMILES | Nc1ncnc2n(CCCNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)c(Sc3cc4OCOc4cc3I)nc12 |(19.6,-8.98,;19.61,-10.53,;18.28,-11.3,;18.27,-12.85,;19.61,-13.62,;20.94,-12.85,;22.42,-13.33,;22.46,-14.87,;21.14,-15.68,;21.18,-17.22,;19.87,-18.02,;19.91,-19.56,;18.6,-20.37,;21.26,-20.3,;21.3,-21.84,;19.99,-22.63,;20.03,-24.17,;21.38,-24.92,;22.64,-24.21,;22.65,-22.56,;24.18,-24.21,;24.94,-22.88,;24.94,-25.54,;21.42,-26.46,;20.11,-27.26,;18.77,-26.54,;17.45,-27.34,;17.5,-28.88,;16.19,-29.69,;18.84,-29.6,;20.15,-28.8,;21.51,-29.54,;22.82,-28.71,;24.17,-29.44,;25.47,-28.63,;26.83,-29.36,;25.42,-27.09,;23.95,-26.54,;22.77,-27.18,;23.34,-12.07,;24.88,-12.07,;25.65,-10.73,;27.19,-10.74,;27.96,-9.41,;29.47,-9.09,;29.63,-7.55,;28.22,-6.92,;27.19,-8.07,;25.64,-8.07,;24.88,-9.41,;23.34,-9.41,;22.42,-10.81,;20.94,-11.3,)| | ||
| Structure | 
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