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Target
Plasma kallikrein
Ligand
BDBM50582290
Substrate
n/a
Meas. Tech.
Kallikrein Assay
IC50
0.100±n/a nM
Citation
 Jabri, S; Ogawa, AK; Sinz, CJ; Hicks, JD; Cheng, AC; Gao, Y; Yang, S; Bao, J; Hayes, DA; Lang, SB; Taoka, BM; Tian, M; Shearn-Nance, GP; Kuang, R; Lombardo, MJ; Wu, Z; Zhao, Z PLASMA KALLIKREIN INHIBITORS US Patent  US20230286958 Publication Date 9/14/2023 
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:
Human
Description:
P03952
Residue:
638
Sequence:
MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLFSFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVDMRGVNFNVSKVSSVEECQKRCTSNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIKVLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFFTFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGVDFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRIAYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCGGSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEGNHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNIPLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGEGCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA
  
Inhibitor
Name:
BDBM50582290
Synonyms:
CHEMBL5082614 | US20230286958, Example 198
Type:
Small organic molecule
Emp. Form.:
C28H24ClF3N8O3
Mol. Mass.:
612.99
SMILES:
[H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(nc1C)C(C)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 |r|
Structure:
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