Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 1
Ligand
BDBM138513
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
248.5±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:
BDBM138513
Synonyms:
US8877775, 24 | US9073869, 24
Type:
Small organic molecule
Emp. Form.:
C23H23N5O
Mol. Mass.:
385.4616
SMILES:
O=C(N[C@@H](Cc1ccc(cc1)-c1ccnc(c1)C#N)C#N)[C@H]1NC2CCC1CC2 |r,wU:21.22,wD:3.2,(-3.33,1.93,;-3.33,3.47,;-2,4.23,;-.67,3.47,;-.67,1.93,;.67,1.15,;.67,-.38,;2,-1.15,;3.33,-.38,;3.33,1.15,;2,1.93,;4.67,-1.15,;6,-.38,;7.34,-1.15,;7.34,-2.69,;6,-3.47,;4.67,-2.69,;6,-5,;6,-6.54,;.67,4.23,;2,5,;-4.67,4.23,;-6,3.47,;-7.34,4.23,;-7.34,5.78,;-6,6.54,;-4.67,5.78,;-5.44,4.44,;-6.57,5.57,)|
Structure:
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