Target
Plasma kallikrein
Ligand
BDBM463441
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
IC50
13.3±n/a nM
Citation
 Evans, DMDavie, RLEdwards, HJHodgson, ST N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors US Patent  US10781181 Publication Date 9/22/2020 
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:
BDBM463441
Synonyms:
3-amino-N-[(2R/S)-2-(3-chlorophenoxy)propyl]-1-({4-[(2-oxopyridin-1- | US10781181, Example 118
Type:
Small organic molecule
Emp. Form.:
C26H26ClN5O3
Mol. Mass.:
491.969
SMILES:
C[C@@H](CNC(=O)c1cn(Cc2ccc(Cn3ccccc3=O)cc2)nc1N)Oc1cccc(Cl)c1
Structure:
Search PDB for entries with ligand similarity: