Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM492888
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Inhibition
IC50
5500±n/a nM
Citation
 McDonald, A; Qian, S Therapeutic inhibitory compounds US Patent  US10981893 Publication Date 4/20/2021 
Target
Name:
Plasma kallikrein
Synonyms:
Fletcher factor | KLK3 | KLKB1 | KLKB1_HUMAN | Kallikrein | Kininogenin | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein
Type:
Protein
Mol. Mass.:
71391.16
Organism:
Homo sapiens (Human)
Description:
P03952
Residue:
638
Sequence:
MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLFSFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVDMRGVNFNVSKVSSVEECQKRCTSNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIKVLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFFTFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGVDFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRIAYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCGGSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEGNHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNIPLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGEGCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA
  
Inhibitor
Name:
BDBM492888
Synonyms:
N-((3-chloro-6-fluoro- 1H-indol-5-yl)methyl)- 6-oxo-1-((3-((2- oxopyridin-1(2H)- yl)methyl)bicyclo[1.1.1] pentan-1-yl)methyl)- 1,6-dihydropyridine-3- carboxamide | US10981893, Example 17
Type:
Small organic molecule
Emp. Form.:
C27H24ClFN4O3
Mol. Mass.:
506.956
SMILES:
Fc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1ccc(=O)n(CC23CC(Cn4ccccc4=O)(C2)C3)c1
Structure:
Search PDB for entries with ligand similarity: