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Target
Pepsin A-5
Ligand
BDBM50066260
Substrate
n/a
Meas. Tech.
ChEMBL_1465588 (CHEMBL3404890)
IC50
>10000±n/a nM
Citation
 Lorthiois, E; Cumin, F; Ehrhardt, C; Kosaka, T; Sellner, H; Ostermann, N; Francotte, E; Wagner, T; Maibaum, J trans-(3S,4S)-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part I: prime site exploration using an amino linker. Bioorg Med Chem Lett 25:1782-6 (2015) [PubMed]  Article 
Target
Name:
Pepsin A-5
Synonyms:
PEPA5_HUMAN | PGA5 | Pepsin A | Pepsinogen A5
Type:
PROTEIN
Mol. Mass.:
41971.56
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1452206
Residue:
388
Sequence:
MKWLLLLGLVALSECIMYKVPLIRKKSLRRTLSERGLLKDFLKKHNLNPARKYFPQWEAPTLVDEQPLENYLDMEYFGTIGIGTPAQDFTVVFDTGSSNLWVPSVYCSSLACTNHNRFNPEDSSTYQSTSETVSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISSSGATPVFDNIWNQGLVSQDLFSVYLSADDKSGSVVIFGGIDSSYYTGSLNWVPVTVEGYWQITVDSITMNGETIACAEGCQAIVDTGTSLLTGPTSPIANIQSDIGASENSDGDMVVSCSAISSLPDIVFTINGVQYPVPPSAYILQSEGSCISGFQGMNVPTESGELWILGDVFIRQYFTVFDRANNQVGLAPVA
  
Inhibitor
Name:
BDBM50066260
Synonyms:
CHEMBL3400435
Type:
Small organic molecule
Emp. Form.:
C31H41N3O4
Mol. Mass.:
519.6749
SMILES:
COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r|
Structure:
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