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Target
Proteasome subunit beta type-2
Ligand
BDBM50517631
Substrate
n/a
Meas. Tech.
ChEMBL_1869379 (CHEMBL4370445)
IC50
100±n/a nM
Citation
 Xin, BT; Huber, EM; de Bruin, G; Heinemeyer, W; Maurits, E; Espinal, C; Du, Y; Janssens, M; Weyburne, ES; Kisselev, AF; Florea, BI; Driessen, C; van der Marel, GA; Groll, M; Overkleeft, HS Structure-Based Design of Inhibitors Selective for Human Proteasome ?2c or ?2i Subunits. J Med Chem 62:1626-1642 (2019) [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:
BDBM50517631
Synonyms:
CHEMBL4442052
Type:
Small organic molecule
Emp. Form.:
C37H56N4O7
Mol. Mass.:
668.8631
SMILES:
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCC(CC2)C2CCCCC2)C(=O)[C@@]2(C)CO2)cc1 |r,wU:11.11,26.27,wD:7.6,42.45,(44.27,-16.34,;44.27,-14.81,;42.93,-14.04,;41.6,-14.81,;40.27,-14.04,;40.28,-12.5,;38.95,-11.73,;38.95,-10.2,;37.62,-9.43,;36.28,-10.2,;36.28,-11.73,;34.95,-9.43,;34.95,-7.89,;33.62,-10.2,;32.29,-9.43,;32.29,-7.89,;30.96,-10.2,;29.63,-9.43,;29.64,-7.89,;28.31,-7.12,;26.98,-7.88,;26.97,-9.42,;28.3,-10.2,;40.28,-9.43,;40.28,-7.89,;41.61,-10.2,;42.94,-9.43,;42.94,-7.89,;41.78,-6.74,;40.22,-7.18,;39.07,-6.02,;39.49,-4.45,;41.06,-4.03,;42.21,-5.16,;38.34,-3.29,;38.77,-1.71,;37.62,-.56,;36.05,-.98,;35.62,-2.55,;36.77,-3.71,;44.27,-10.2,;44.27,-11.73,;45.6,-9.42,;46.94,-10.2,;44.83,-8.08,;46.37,-8.08,;41.6,-11.73,;42.93,-12.5,)|
Structure:
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