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Target
Proteasome subunit beta type-5
Ligand
BDBM50536439
Substrate
n/a
Meas. Tech.
ChEMBL_1933756 (CHEMBL4479408)
IC50
4.9±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:
BDBM50536439
Synonyms:
CHEMBL4581001
Type:
Small organic molecule
Emp. Form.:
C39H52N6O5
Mol. Mass.:
684.8674
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,(72.07,-6.39,;72.07,-7.72,;70.74,-8.5,;69.41,-7.72,;69.41,-6.18,;68.07,-8.5,;68.07,-10.04,;69.41,-10.82,;69.4,-12.36,;70.73,-13.13,;72.07,-12.36,;72.06,-10.81,;70.73,-10.04,;66.73,-7.72,;65.4,-8.5,;65.4,-10.04,;64.06,-7.73,;64.06,-6.18,;65.39,-5.41,;65.38,-3.87,;66.72,-3.11,;68.04,-3.88,;68.04,-5.42,;66.71,-6.18,;69.37,-3.12,;70.7,-3.9,;72.03,-3.14,;72.04,-1.6,;70.7,-.83,;69.37,-1.59,;62.72,-8.5,;61.39,-7.72,;61.39,-6.18,;60.06,-8.5,;58.72,-7.72,;57.38,-8.5,;56.05,-7.73,;54.72,-8.5,;54.71,-10.04,;56.06,-10.82,;57.38,-10.04,;60.06,-10.04,;61.33,-10.9,;62.62,-11.75,;73.41,-8.5,;73.41,-10.04,;74.75,-7.71,;75.84,-8.81,;74.74,-6.17,;76.08,-6.94,)|
Structure:
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