Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 1
Ligand
BDBM138504
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
110.5±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:
BDBM138504
Synonyms:
US8877775, 15 | US9073869, 15
Type:
Small organic molecule
Emp. Form.:
C24H27N3O3S
Mol. Mass.:
437.554
SMILES:
CS(=O)(=O)c1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:19.19,wD:15.16,(6,-5,;7.34,-4.23,;8.67,-3.47,;7.34,-5.78,;6,-3.47,;4.67,-4.23,;3.33,-3.47,;3.33,-1.93,;4.67,-1.15,;6,-1.93,;2,-1.15,;.67,-1.93,;-.67,-1.15,;-.67,.38,;-2,1.15,;-2,2.69,;-3.33,3.47,;-4.67,2.69,;-4.67,1.15,;-6,3.47,;-7.34,2.69,;-8.67,3.47,;-8.67,5,;-7.34,5.78,;-6,5,;-6.77,3.67,;-7.9,4.8,;-.67,3.47,;.67,4.23,;.67,1.15,;2,.38,)|
Structure:
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