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Target
Proteasome subunit beta type-8
Ligand
BDBM50529642
Substrate
n/a
Meas. Tech.
ChEMBL_1909307 (CHEMBL4411753)
IC50
556±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-8
Synonyms:
Lmp7 | Low molecular mass protein 7 | Macropain subunit C13 | Mc13 | Multicatalytic endopeptidase complex subunit C13 | PSB8_MOUSE | Proteasome component C13 | Proteasome subunit beta type-8 | Proteasome subunit beta-5i | Psmb8
Type:
PROTEIN
Mol. Mass.:
30260.37
Organism:
Mus musculus
Description:
ChEMBL_104442
Residue:
276
Sequence:
MALLDLCGAARGQRPEWAALDAGSGGRSDPGHYSFSAQAPELALPRGMQPTAFLRSFGGDQERNVQIEMAHGTTTLAFKFQHGVIVAVDSRATAGSYISSLRMNKVIEINPYLLGTMSGCAADCQYWERLLAKECRLYYLRNGERISVSAASKLLSNMMLQYRGMGLSMGSMICGWDKKGPGLYYVDDNGTRLSGQMFSTGSGNTYAYGVMDSGYRQDLSPEEAYDLGRRAIAYATHRDNYSGGVVNMYHMKEDGWVKVESSDVSDLLYKYGEAAL
  
Inhibitor
Name:
BDBM50529642
Synonyms:
CHEMBL4550864
Type:
Small organic molecule
Emp. Form.:
C30H43N3O7
Mol. Mass.:
557.6783
SMILES:
COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H]2CC[C@H](O)CC2)C(=O)N[C@@H](CC2CCC2)C(=O)[C@@]2(C)CO2)cc1 |r,wU:26.27,19.19,wD:16.15,11.11,7.6,34.36,(19.65,-43.89,;19.65,-42.35,;18.32,-41.58,;16.98,-42.35,;15.65,-41.57,;15.66,-40.04,;14.32,-39.27,;14.33,-37.73,;12.99,-36.96,;11.66,-37.72,;11.66,-39.26,;10.33,-36.95,;10.33,-35.41,;8.99,-37.72,;7.66,-36.95,;7.66,-35.41,;6.32,-37.72,;4.99,-36.94,;3.66,-37.7,;3.65,-39.24,;2.32,-40.01,;4.99,-40.02,;6.33,-39.25,;15.66,-36.96,;15.66,-35.42,;16.99,-37.73,;18.33,-36.96,;18.33,-35.42,;19.53,-34.45,;21.05,-34.61,;21.21,-33.08,;19.68,-32.92,;19.66,-37.74,;19.66,-39.28,;20.99,-36.96,;22.32,-37.73,;20.21,-35.62,;21.76,-35.62,;16.98,-39.26,;18.31,-40.03,)|
Structure:
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