Target
Plasma kallikrein
Ligand
BDBM341309
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
12.0±n/a nM
Citation
 Röhrig, SHillisch, AStrassburger, JHeitmeier, SSchmidt, MVSchlemmer, KTersteegen, ABuchmüller, AGerdes, CSchäfer, MTeller, HJimenez Nunez, ESchirok, HKlar, J Substituted oxopyridine derivatives US Patent  US9765070 Publication Date 9/19/2017 
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:
BDBM341309
Synonyms:
2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-4-methoxy-N-[3-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]butanamide (racemate) | US9765070, Example 26
Type:
Small organic molecule
Emp. Form.:
C29H30ClN7O5
Mol. Mass.:
592.045
SMILES:
COCCC(C(=O)Nc1ccc2nnc(CN3CCOCC3)n2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Structure:
Search PDB for entries with ligand similarity: