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Target
Proteasome subunit beta type-5
Ligand
BDBM50536442
Substrate
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 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:
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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