Reaction Details Report a problem with these data
Target
Proteasome subunit beta type-5
Ligand
BDBM50529639
Substrate
n/a
Meas. Tech.
ChEMBL_1909308 (CHEMBL4411754)
IC50
507±n/a nM
Citation
 Johnson, HWB; Lowe, E; Anderl, JL; Fan, A; Muchamuel, T; Bowers, S; Moebius, DC; Kirk, C; McMinn, DL Required Immunoproteasome Subunit Inhibition Profile for Anti-Inflammatory Efficacy and Clinical Candidate KZR-616 ((2 S,3 R)- N-(( S)-3-(Cyclopent-1-en-1-yl)-1-(( R)-2-methyloxiran-2-yl)-1-oxopropan-2-yl)-3-hydroxy-3-(4-methoxyphenyl)-2-(( S)-2-(2-morpholinoacetamido)propanamido)propenamide). J Med Chem 61:11127-11143 (2018) [PubMed]  Article 
Target
Name:
Proteasome subunit beta type-5
Synonyms:
3.4.25.1 | Macropain epsilon chain | Multicatalytic endopeptidase complex epsilon chain | PSB5_MOUSE | Proteasome chain 6 | Proteasome epsilon chain | Proteasome subunit X | Proteasome subunit beta type-5 | Psmb5
Type:
PROTEIN
Mol. Mass.:
28533.60
Organism:
Mus musculus
Description:
ChEMBL_104444
Residue:
264
Sequence:
MALASVLQRPMPVNQHGFFGLGGGADLLDLGPGSPGDGLSLAAPSWGVPEEPRIEMLHGTTTLAFKFLHGVIVAADSRATAGAYIASQTVKKVIEINPYLLGTMAGGAADCSFWERLLARQCRIYELRNKERISVAAASKLLANMVYQYKGMGLSMGTMICGWDKRGPGLYYVDSEGNRISGTAFSVGSGSVYAYGVMDRGYSYDLKVEEAYDLARRAIYQATYRDAYSGGAVNLYHVREDGWIRVSSDNVADLHDKYSSVSVP
  
Inhibitor
Name:
BDBM50529639
Synonyms:
CHEMBL4454809
Type:
Small organic molecule
Emp. Form.:
C32H41N3O7
Mol. Mass.:
579.6838
SMILES:
COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H]2CC[C@H](O)CC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,wU:26.27,19.19,wD:16.15,11.11,7.6,36.38,(66.97,-27.92,;66.97,-26.38,;65.64,-25.61,;64.3,-26.38,;62.97,-25.61,;62.98,-24.07,;61.64,-23.3,;61.65,-21.76,;60.31,-20.99,;58.98,-21.76,;58.98,-23.3,;57.65,-20.98,;57.65,-19.44,;56.31,-21.75,;54.98,-20.98,;54.98,-19.44,;53.64,-21.75,;52.31,-20.97,;50.98,-21.73,;50.97,-23.27,;49.63,-24.04,;52.3,-24.05,;53.65,-23.29,;62.98,-20.99,;62.98,-19.45,;64.31,-21.76,;65.65,-21,;65.65,-19.46,;66.85,-18.48,;68.28,-19.04,;69.47,-18.07,;69.23,-16.55,;67.78,-16,;66.59,-16.97,;66.98,-21.77,;66.98,-23.31,;68.31,-20.99,;69.64,-21.76,;67.53,-19.65,;69.08,-19.65,;64.3,-23.3,;65.63,-24.06,)|
Structure:
Search PDB for entries with ligand similarity: