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Target
Dipeptidyl peptidase 1
Ligand
BDBM201550
Substrate
n/a
Meas. Tech.
Inhibition of Human DPPI (Cathepsin C)
Temperature
298.15±n/a K
IC50
2.90±0 nM
Comments
extracted
Citation
 Vintonyak, V; Grauert, M; Grundl, M; Pautsch, A Substituted spirocycles US Patent  US9540373 Publication Date 1/10/2017 
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:
BDBM201550
Synonyms:
US9540373, 27 | US9879026, Example 27 | USRE47636, Example 27
Type:
Small organic molecule
Emp. Form.:
C32H37FN4O3
Mol. Mass.:
544.6596
SMILES:
Fc1cc(ccc1C[C@H](NC(=O)C12CCC(CC1)CN2)C#N)-c1ccc2COC3(CCN(CC3)C3COC3)c2c1 |r,wD:8.9,(-2.66,-2.7,;-1.33,-1.93,;0,-2.7,;1.34,-1.93,;1.34,-.39,;0,.38,;-1.33,-.39,;-2.66,.38,;-2.66,1.92,;-4,2.69,;-5.33,1.92,;-5.33,.38,;-6.66,2.69,;-6.66,4.24,;-8,5.01,;-9.33,4.24,;-8.24,3.23,;-7.67,3.82,;-9.33,2.7,;-8,1.93,;-1.33,2.69,;0,3.46,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.34,-4.24,;6.8,-4.71,;7.71,-3.47,;6.8,-2.22,;5.71,-1.13,;6.11,.36,;7.6,.76,;8.69,-.33,;8.29,-1.82,;8,2.24,;9.33,3.01,;8.56,4.35,;7.23,3.58,;5.34,-2.7,;4,-1.93,)|
Structure:
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