Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 1
Ligand
BDBM201033
Substrate
n/a
Meas. Tech.
Inhibition of Human DPPI (Cathepsin C)
IC50
4.80±n/a nM
Citation
 Vintonyak, V; Grauert, M; Grundl, M; Pautsch, A Substituted spirocycles US Patent  USRE47636 Publication Date 10/8/2019 
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:
BDBM201033
Synonyms:
US9540373, 22 | US9879026, Example 22 | USRE47636, Example 22
Type:
Small organic molecule
Emp. Form.:
C30H32FN5O4
Mol. Mass.:
545.6046
SMILES:
Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1cc2c(cn1)C(=O)OC21CCN(CC1)C1COC1 |r|
Structure:
Search PDB for entries with ligand similarity: