Target
Plasma kallikrein
Ligand
BDBM283468
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Inhibition
IC50
<100±n/a nM
Citation
 McDonald, AQian, S Therapeutic inhibitory compounds US Patent  US11021463 Publication Date 6/1/2021 
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:
BDBM283468
Synonyms:
N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((6-fluoroquinolin-3-yl)methyl)isonicotinamide | US10023557, Example 120 | US10266515, Example 120 | US10308637, Example 120 | US11021463, Example 120 | US9611252, Example 120
Type:
Small organic molecule
Emp. Form.:
C25H17ClF2N4O
Mol. Mass.:
462.878
SMILES:
Fc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cc2c1
Structure:
Search PDB for entries with ligand similarity: