Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 1
Ligand
BDBM138492
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
30.1±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:
BDBM138492
Synonyms:
US8877775, 1 | US9073869, 1
Type:
Small organic molecule
Emp. Form.:
C25H25FN4O3S
Mol. Mass.:
480.554
SMILES:
CS(=O)(=O)c1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)c(F)c1 |r,wU:21.21,wD:17.18,(3.34,-4.62,;4.67,-5.39,;3.34,-6.16,;6,-6.16,;4.67,-3.85,;3.34,-3.08,;3.34,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-4.62,;2,-.77,;2,.77,;.67,1.54,;-.67,.77,;-2,1.54,;-2,3.08,;-3.33,3.85,;-4.67,4.62,;-4.67,6.16,;-6,3.85,;-6,2.31,;-7.34,1.54,;-8.67,2.31,;-8.67,3.85,;-7.33,4.62,;-6.56,3.29,;-8.11,2.88,;-.67,3.85,;.67,4.62,;-.67,-.77,;-2,-1.54,;.67,-1.54,)|
Structure:
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