Reaction Details Report a problem with these data
Target
Plasma serine protease inhibitor
Ligand
BDBM528106
Substrate
n/a
Meas. Tech.
Determination of Enzyme Selectivity
IC50
>40000±n/a nM
Citation
 Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST; Pethen, SJ; Rooker, DP Pyrazole derivatives as plasma kallikrein inhibitors US Patent  US11180484 Publication Date 11/23/2021 
Target
Name:
Plasma serine protease inhibitor
Synonyms:
Acrosomal serine protease inhibitor | IPSP_HUMAN | PAI-3 | PAI3 | PCI | PLANH3 | PROCI | Plasminogen activator inhibitor 3 | Protein C inhibitor | SERPINA5 | Serpin A5
Type:
Protein
Mol. Mass.:
45687.25
Organism:
Human
Description:
P05154
Residue:
406
Sequence:
MQLFLLLCLVLLSPQGASLHRHHPREMKKRVEDLHVGATVAPSSRRDFTFDLYRALASAAPSQSIFFSPVSISMSLAMLSLGAGSSTKMQILEGLGLNLQKSSEKELHRGFQQLLQELNQPRDGFQLSLGNALFTDLVVDLQDTFVSAMKTLYLADTFPTNFRDSAGAMKQINDYVAKQTKGKIVDLLKNLDSNAVVIMVNYIFFKAKWETSFNHKGTQEQDFYVTSETVVRVPMMSREDQYHYLLDRNLSCRVVGVPYQGNATALFILPSEGKMQQVENGLSEKTLRKWLKMFKKRQLELYLPKFSIEGSYQLEKVLPSLGISNVFTSHADLSGISNHSNIQVSEMVHKAVVEVDESGTRAAAATGTIFTFRSARLNSQRLVFNRPFLMFIVDNNILFLGKVNRP
  
Inhibitor
Name:
BDBM528106
Synonyms:
N-{[5-methoxy-2-(1,2,3,4-tetrazol-1-yl)phenyl]methyl}-3-(methoxymethyl)-1-({4-[(2- oxopyridin-1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide | US11180484, Example 40
Type:
Small organic molecule
Emp. Form.:
C28H28N8O4
Mol. Mass.:
540.5731
SMILES:
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
Structure:
Search PDB for entries with ligand similarity: