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Target
Pepsin A-5
Ligand
BDBM50065660
Substrate
n/a
Meas. Tech.
ChEMBL_1464649 (CHEMBL3406670)
IC50
>30000±n/a nM
Citation
 Sellner, H; Cottens, S; Cumin, F; Ehrhardt, C; Kosaka, T; Lorthiois, E; Ostermann, N; Webb, RL; Rigel, DF; Wagner, T; Maibaum, J trans-3,4-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part II: prime site exploration using an oxygen linker. Bioorg Med Chem Lett 25:1787-91 (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:
BDBM50065660
Synonyms:
CHEMBL3403995
Type:
Small organic molecule
Emp. Form.:
C28H39N3O6
Mol. Mass.:
513.6258
SMILES:
COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r|
Structure:
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