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Target
Plasma kallikrein
Ligand
BDBM306616
Substrate
n/a
Meas. Tech.
In Vitro Plasma Kallikrein Inhibition Assay
IC50
2.00±n/a nM
Citation
 Li, Z; Zancanella, M; Yu, C; Setti, LQ; Sham, H; Xu, Q; Yee, CW; Yu, M Bridged bicyclic kallikrein inhibitors US Patent  US10144746 Publication Date 12/4/2018 
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:
BDBM306616
Synonyms:
(1R,8S)-N-[(4- carbamimidoylphenyl) methyl]-12- cyclopropyl-15- oxatetracyclo[6.6.1.02,7.09,14] pentadeca-2,4,6,9,11,13- hexaene-4-carboxamide | US10144746, Compound 259
Type:
Small organic molecule
Emp. Form.:
C26H23N3O2
Mol. Mass.:
409.4797
SMILES:
NC(=N)c1ccc(CNC(=O)c2ccc3[C@H]4O[C@H](c5cc(ccc45)C4CC4)c3c2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: