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Target
Proteasome subunit beta type-5
Ligand
BDBM50536429
Substrate
n/a
Meas. Tech.
ChEMBL_1933756 (CHEMBL4479408)
IC50
2.1±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:
BDBM50536429
Synonyms:
CHEMBL4581491
Type:
Small organic molecule
Emp. Form.:
C37H50N6O6
Mol. Mass.:
674.8295
SMILES:
COC1CCC(C[C@H](NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-])C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)CC1 |r,wU:36.38,7.6,11.19,wD:25.26,43.45,(73.47,-11.43,;73.47,-12.97,;72.14,-13.74,;72.13,-15.28,;70.8,-16.05,;69.47,-15.27,;68.13,-16.05,;68.13,-17.59,;66.79,-18.35,;65.46,-17.59,;65.46,-16.05,;64.13,-18.35,;62.79,-17.59,;61.46,-18.35,;60.13,-17.59,;58.8,-18.35,;58.79,-19.9,;60.14,-20.67,;61.46,-19.89,;64.13,-19.89,;65.41,-20.75,;66.69,-21.6,;69.47,-18.35,;69.47,-19.89,;70.8,-17.59,;72.14,-18.35,;72.14,-19.89,;73.47,-20.67,;73.46,-22.21,;74.79,-22.98,;76.13,-22.21,;76.12,-20.66,;74.79,-19.9,;73.47,-17.59,;73.47,-16.05,;74.8,-18.35,;76.14,-17.59,;75.82,-16.16,;76.89,-15.17,;76.58,-13.75,;78.45,-15.33,;77.47,-18.35,;77.47,-19.89,;78.8,-17.58,;79.9,-18.66,;78.8,-16.04,;80.14,-16.8,;69.46,-13.74,;70.79,-12.97,)|
Structure:
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