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Target
Proteasome subunit beta type-2
Ligand
BDBM50536438
Substrate
n/a
Meas. Tech.
ChEMBL_1933760 (CHEMBL4479412)
IC50
46±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-2
Synonyms:
20S proteasome | PSB2_HUMAN | PSMB2 | Proteasome Macropain subunit
Type:
PROTEIN
Mol. Mass.:
22837.53
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1294233
Residue:
201
Sequence:
MEYLIGIQGPDYVLVASDRVAASNIVQMKDDHDKMFKMSEKILLLCVGEAGDTVQFAEYIQKNVQLYKMRNGYELSPTAAANFTRRNLADCLRSRTPYHVNLLLAGYDEHEGPALYYMDYLAALAKAPFAAHGYGAFLTLSILDRYYTPTISRERAVELLRKCLEELQKRFILNLPTFSVRIIDKNGIHDLDNISFPKQGS
  
Inhibitor
Name:
BDBM50536438
Synonyms:
CHEMBL4534488
Type:
Small organic molecule
Emp. Form.:
C37H50N6O5
Mol. Mass.:
658.8301
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(C)CC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1 |r,wU:4.3,19.20,31.41,wD:8.8,44.47,(77.52,-2.76,;77.84,-4.19,;79.29,-4.35,;76.76,-5.18,;77.08,-6.61,;75.74,-7.37,;74.42,-6.61,;74.42,-5.06,;73.08,-7.37,;73.08,-8.91,;74.42,-9.69,;74.41,-11.23,;75.73,-12,;77.07,-11.23,;77.07,-9.68,;75.73,-8.91,;71.75,-6.61,;70.41,-7.37,;70.41,-8.91,;69.07,-6.61,;69.07,-5.06,;70.41,-4.29,;71.75,-5.07,;73.09,-4.3,;73.09,-2.76,;74.42,-1.99,;71.74,-1.99,;70.41,-2.76,;67.74,-7.37,;66.4,-6.61,;66.4,-5.06,;65.07,-7.37,;63.74,-6.61,;62.4,-7.37,;61.08,-6.61,;59.75,-7.37,;59.73,-8.91,;61.08,-9.69,;62.4,-8.91,;65.07,-8.91,;66.35,-9.77,;67.64,-10.62,;78.42,-7.37,;78.42,-8.91,;79.75,-6.6,;80.84,-7.68,;79.74,-5.06,;81.08,-5.82,)|
Structure:
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