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Target
Proteasome subunit beta type-5
Ligand
BDBM50536434
Substrate
n/a
Meas. Tech.
ChEMBL_1933756 (CHEMBL4479408)
IC50
17±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 Chem 59:7177-87 (2016) [PubMed]  Article 
Target
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:
MALASVLERPLPVNQRGFFGLGGRADLLDLGPGSLSDGLSLAAPGWGVPEEPGIEMLHGTTTLAFKFRHGVIVAADSRATAGAYIASQTVKKVIEINPYLLGTMAGGAADCSFWERLLARQCRIYELRNKERISVAAASKLLANMVYQYKGMGLSMGTMICGWDKRGPGLYYVDSEGNRISGATFSVGSGSVYAYGVMDRGYSYDLEVEQAYDLARRAIYQATYRDAYSGGAVNLYHVREDGWIRVSSDNVADLHEKYSGSTP
  
Inhibitor
Name:
BDBM50536434
Synonyms:
CHEMBL4531811
Type:
Small organic molecule
Emp. Form.:
C42H58N6O5
Mol. Mass.:
726.9471
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(CC1)C1CCCCC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r,wU:4.3,19.20,36.47,wD:8.8,49.53,(21,-19.62,;21.32,-21.04,;22.71,-21.26,;20.24,-22.03,;20.56,-23.45,;19.22,-24.22,;17.9,-23.45,;17.9,-21.91,;16.56,-24.22,;16.56,-25.76,;17.9,-26.54,;17.89,-28.08,;19.21,-28.84,;20.55,-28.08,;20.54,-26.53,;19.21,-25.76,;15.23,-23.45,;13.89,-24.22,;13.89,-25.76,;12.56,-23.46,;12.56,-21.91,;13.89,-21.14,;15.23,-21.91,;16.56,-21.15,;16.56,-19.61,;15.22,-18.83,;13.89,-19.61,;17.89,-18.83,;19.22,-19.61,;20.55,-18.83,;20.55,-17.29,;19.2,-16.53,;17.88,-17.3,;11.22,-24.22,;9.89,-23.45,;9.89,-21.91,;8.56,-24.22,;7.23,-23.45,;5.89,-24.22,;4.56,-23.46,;3.23,-24.22,;3.22,-25.76,;4.57,-26.54,;5.89,-25.76,;8.56,-25.76,;9.84,-26.62,;11.12,-27.47,;21.89,-24.22,;21.89,-25.76,;23.22,-23.44,;24.32,-24.53,;23.22,-21.9,;24.56,-22.67,)|
Structure:
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