Target
Proteasome subunit beta type-9
Ligand
BDBM50526812
Substrate
n/a
Meas. Tech.
ChEMBL_1909303 (CHEMBL4411749)
IC50
1850±n/a nM
Citation
 Johnson, HWBLowe, EAnderl, JLFan, AMuchamuel, TBowers, SMoebius, DCKirk, CMcMinn, 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-9
Synonyms:
LMP2 | Low molecular mass protein 2 | Macropain chain 7 | Multicatalytic endopeptidase complex chain 7 | PSB9_HUMAN | PSMB6i | PSMB9 | Proteasome chain 7 | Proteasome subunit beta-1i | RING12 | Really interesting new gene 12 protein
Type:
PROTEIN
Mol. Mass.:
23256.49
Organism:
Homo sapiens (Human)
Description:
ChEMBL_106197
Residue:
219
Sequence:
MLRAGAPTGDLPRAGEVHTGTTIMAVEFDGGVVMGSDSRVSAGEAVVNRVFDKLSPLHERIYCALSGSAADAQAVADMAAYQLELHGIELEEPPLVLAAANVVRNISYKYREDLSAHLMVAGWDQREGGQVYGTLGGMLTRQPFAIGGSGSTFIYGYVDAAYKPGMSPEECRRFTTDAIALAMSRDGSSGGVIYLVTITAAGVDHRVILGNELPKFYDE
  
Inhibitor
Name:
BDBM50526812
Synonyms:
CHEMBL4441524
Type:
Small organic molecule
Emp. Form.:
C31H43N3O7
Mol. Mass.:
569.689
SMILES:
COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H]2CC[C@H](O)CC2)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1 |r,wU:19.19,26.27,wD:16.15,35.37,7.6,11.11,t:29,(25.81,-33.19,;24.47,-33.96,;23.14,-33.19,;23.14,-31.65,;21.81,-30.89,;20.48,-31.65,;19.15,-30.88,;19.15,-29.34,;17.81,-28.57,;16.48,-29.34,;16.48,-30.88,;15.15,-28.57,;15.15,-27.03,;13.81,-29.34,;12.48,-28.57,;12.48,-27.03,;11.14,-29.34,;9.81,-28.57,;8.47,-29.34,;8.47,-30.89,;7.14,-31.65,;9.81,-31.65,;11.14,-30.89,;20.48,-28.57,;20.48,-27.03,;21.81,-29.34,;23.14,-28.57,;23.14,-27.03,;24.23,-25.95,;25.75,-26.18,;26.46,-24.81,;25.37,-23.72,;24,-24.42,;24.48,-29.34,;24.48,-30.88,;25.81,-28.57,;27.14,-29.34,;25.05,-27.23,;26.58,-27.23,;20.48,-33.2,;21.82,-33.96,)|
Structure:
Search PDB for entries with ligand similarity: