Target
Plasma kallikrein
Ligand
BDBM392556
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Inhibition
IC50
550±n/a nM
Citation
 McDonald, AQian, S Therapeutic inhibitory compounds US Patent  US10781200 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:
BDBM392556
Synonyms:
N-((5-chloro-1H-indazol-3-yl)methyl)- 5-((3-chloroquinolin-6-yl)methyl)- 1,3,4-oxadiazole-2-carboxamide | US10301284, Example 42 | US10781200, Example 42
Type:
Small organic molecule
Emp. Form.:
C21H14Cl2N6O2
Mol. Mass.:
453.281
SMILES:
Clc1ccc2[nH]nc(CNC(=O)c3nnc(Cc4ccc5ncc(Cl)cc5c4)o3)c2c1
Structure:
Search PDB for entries with ligand similarity: