Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM433371
Substrate
n/a
Meas. Tech.
Activity Assay
Ki
75.0±n/a nM
Citation
 Kotian, PL; Babu, YS; Kumar, VS; Zhang, W; Vogeti, L Human plasma kallikrein inhibitors US Patent  US11066360 Publication Date 7/20/2021 
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:
BDBM433371
Synonyms:
US10562850, Compound 30b | US11066360, Compound 30b
Type:
Small organic molecule
Emp. Form.:
C44H39Cl2FN6O4
Mol. Mass.:
805.723
SMILES:
O[C@@]1(C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(NC(=O)Nc1ccc(Cl)cc1)c1cccc(c1)C#N)c1ccccc1
Structure:
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