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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Proteasome subunit beta type-5 | ||
| Ligand | BDBM50536442 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1933756 (CHEMBL4479408) | ||
| IC50 | 3.8±n/a nM | ||
| Citation |  Xin, BT; de Bruin, G; Huber, EM; Besse, A; Florea, BI; Filippov, DV; van der Marel, GA; Kisselev, AF; van der Stelt, M; Driessen, C; Groll, M; Overkleeft, HS Structure-Based Design of ?5c Selective Inhibitors of Human Constitutive Proteasomes. J Med Chem59:7177-87 (2016) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Proteasome subunit beta type-5 | |||
| Name: | Proteasome subunit beta type-5 | ||
| Synonyms: | 20S proteasome chymotrypsin-like | 26S proteosome | LMPX | MB1 | PSB5_HUMAN | PSMB5 | Proteasome Macropain subunit MB1 | Proteasome subunit beta type-1/beta type-5 | X | ||
| Type: | Protein | ||
| Mol. Mass.: | 28480.96 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | n/a | ||
| Residue: | 263 | ||
| Sequence: |
| ||
| BDBM50536442 | |||
| n/a | |||
| Name | BDBM50536442 | ||
| Synonyms: | CHEMBL4570216 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C39H46N6O5 | ||
| Mol. Mass. | 678.8197 | ||
| SMILES | C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[C@H]1CC[C@@H](CC1)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r,wU:16.32,1.0,33.44,18.18,wD:5.5,46.50,21.25,(48.13,-36.86,;48.13,-38.19,;46.79,-38.97,;45.46,-38.19,;45.46,-36.65,;44.12,-38.97,;44.12,-40.51,;45.46,-41.29,;45.45,-42.83,;46.78,-43.6,;48.12,-42.83,;48.12,-41.28,;46.78,-40.51,;42.79,-38.19,;41.45,-38.97,;41.45,-40.51,;40.11,-38.2,;40.11,-36.65,;41.44,-35.88,;41.43,-34.35,;42.77,-33.58,;44.1,-34.35,;44.09,-35.89,;42.76,-36.65,;45.42,-33.59,;46.75,-34.37,;48.08,-33.61,;48.09,-32.07,;46.75,-31.3,;45.43,-32.06,;38.78,-38.97,;37.44,-38.19,;37.44,-36.65,;36.11,-38.97,;34.77,-38.19,;33.43,-38.97,;32.1,-38.2,;30.77,-38.97,;30.76,-40.51,;32.11,-41.29,;33.43,-40.51,;36.11,-40.51,;37.39,-41.37,;38.67,-42.22,;49.47,-38.97,;49.47,-40.51,;50.8,-38.19,;51.89,-39.28,;50.79,-36.64,;52.13,-37.41,)| | ||
| Structure | 
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