Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 1
Ligand
BDBM138500
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
86.7±n/a nM
Comments
extracted
Citation
 Anderskewitz, R; Grauert, M; Grundl, M; Oost, T; Pautsch, A; Peters, S Substituted 2-aza-bicyclo[2.2.2]octane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C US Patent  US8877775 Publication Date 11/4/2014 
Target
Name:
Dipeptidyl peptidase 1
Synonyms:
CATC_HUMAN | CPPI | CTSC | Cathepsin C | Cathepsin J | Dipeptidyl peptidase 1 (DDPI) | Dipeptidyl peptidase 1 (DPPI) | Dipeptidyl peptidase I | Dipeptidyl peptidase I (DPPI)
Type:
Enzyme
Mol. Mass.:
51857.28
Organism:
Homo sapiens (Human)
Description:
P53634
Residue:
463
Sequence:
MGAGPSLLLAALLLLLSGDGAVRCDTPANCTYLDLLGTWVFQVGSSGSQRDVNCSVMGPQEKKVVVYLQKLDTAYDDLGNSGHFTIIYNQGFEIVLNDYKWFAFFKYKEEGSKVTTYCNETMTGWVHDVLGRNWACFTGKKVGTASENVYVNIAHLKNSQEKYSNRLYKYDHNFVKAINAIQKSWTATTYMEYETLTLGDMIRRSGGHSRKIPRPKPAPLTAEIQQKILHLPTSWDWRNVHGINFVSPVRNQASCGSCYSFASMGMLEARIRILTNNSQTPILSPQEVVSCSQYAQGCEGGFPYLIAGKYAQDFGLVEEACFPYTGTDSPCKMKEDCFRYYSSEYHYVGGFYGGCNEALMKLELVHHGPMAVAFEVYDDFLHYKKGIYHHTGLRDPFNPFELTNHAVLLVGYGTDSASGMDYWIVKNSWGTGWGENGYFRIRRGTDECAIESIAVAATPIPKL
  
Inhibitor
Name:
BDBM138500
Synonyms:
US8877775, 11 | US9073869, 11
Type:
Small organic molecule
Emp. Form.:
C25H26N4O2
Mol. Mass.:
414.4995
SMILES:
O=C(N[C@@H](Cc1ccc(cc1)-c1ccc2C(=O)NCc2c1)C#N)[C@H]1NC2CCC1CC2 |r,wU:23.25,wD:3.2,(-4.52,.9,;-4.52,2.44,;-3.19,3.21,;-1.85,2.44,;-1.85,.9,;-.52,.13,;-.52,-1.41,;.82,-2.18,;2.15,-1.41,;2.15,.13,;.82,.9,;3.48,-2.18,;3.48,-3.72,;4.82,-4.49,;6.15,-3.72,;7.61,-4.19,;8.38,-5.52,;8.52,-2.95,;7.61,-1.7,;6.15,-2.18,;4.82,-1.41,;-.52,3.21,;.82,3.98,;-5.85,3.21,;-7.19,2.44,;-8.52,3.21,;-8.52,4.75,;-7.19,5.52,;-5.85,4.75,;-6.62,3.42,;-7.75,4.55,)|
Structure:
Search PDB for entries with ligand similarity: