Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM448382
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
0.400±n/a nM
Citation
 Eckhardt, M; Gollner, A; Langkopf, E; Wagner, H; Wiedenmayer, D Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors US Patent  US10695334 Publication Date 6/30/2020 
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:
BDBM448382
Synonyms:
1-[(6-{5-azaspiro[2.3]hexan-5-yl}-2-methylpyridin-3-ylmethyl]-N-[(6R)-3-methyl-1H,4H,5H,6H- cyclopenta[c]pyrazol-6-yl]-1H-pyrazole-4-carboxamide | US10695334, Example 11
Type:
Small organic molecule
Emp. Form.:
C23H27N7O
Mol. Mass.:
417.5068
SMILES:
Cc1n[nH]c2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C)N2CC3(CC3)C2)c1 |r|
Structure:
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