Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 1
Ligand
BDBM138516
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6±n/a
Temperature
298.15±n/a K
IC50
73.3±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:
BDBM138516
Synonyms:
US8877775, 27 | US9073869, 27
Type:
Small organic molecule
Emp. Form.:
C25H27FN4O3S
Mol. Mass.:
482.57
SMILES:
CN1Cc2cc(ccc2S1(=O)=O)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)c(F)c1 |r,wU:21.22,wD:17.19,(7.31,-6.51,;6.54,-5.17,;5,-5.01,;4.68,-3.5,;3.35,-2.73,;3.35,-1.19,;4.68,-.42,;6.02,-1.19,;6.02,-2.73,;7.16,-3.76,;8.65,-4.16,;8.25,-2.68,;2.02,-.42,;2.02,1.12,;.68,1.89,;-.65,1.12,;-1.98,1.89,;-1.98,3.43,;-3.32,4.2,;-4.65,4.97,;-4.65,6.51,;-5.99,4.2,;-5.91,2.66,;-7.2,1.82,;-8.57,2.52,;-8.65,4.06,;-7.36,4.89,;-6.52,3.6,;-8.04,3.11,;-.65,4.2,;.68,4.97,;-.65,-.42,;-1.98,-1.19,;.68,-1.19,)|
Structure:
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