Target
Plasma kallikrein
Ligand
BDBM304189
Substrate
n/a
Meas. Tech.
Kallikrein Assay
IC50
8.40±n/a nM
Citation
 Shen, DKuang, RKumar, PDuffy, JLZhu, CAli, AYang, MDebenham, JS Factor XIa inhibitors US Patent  US10143681 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:
BDBM304189
Synonyms:
2-(1-((4- carboxyphenyl)amino)-3-(3- fluorocyclobutyl)-1- oxopropan-2-yl)-5-(3- chloro-6-(difluoromethyl)- 2-fluorophenyl)pyridine 1- oxide | BDBM304190 | US10143681, Example 80
Type:
Small organic molecule
Emp. Form.:
C26H21ClF4N2O4
Mol. Mass.:
536.903
SMILES:
OC(=O)c1ccc(NC(=O)C(CC2CC(F)C2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(7.34,-3.24,;7.34,-1.7,;8.67,-.93,;6,-.93,;4.67,-1.7,;3.33,-.93,;3.33,.61,;2,1.38,;.67,.61,;.67,-.93,;-.67,1.38,;-.67,2.92,;-2,3.69,;-2.4,5.18,;-3.89,4.78,;-5.22,5.55,;-3.49,3.29,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-3.33,-1.7,;-2,-.93,;-.67,-1.7,;-6,-1.7,;-6,-3.24,;-4.67,-4.01,;-7.34,-4.01,;-7.34,-5.55,;-8.67,-3.24,;-8.67,-1.7,;-7.34,-.93,;-7.34,.61,;-8.67,1.38,;-6,1.38,;4.67,1.38,;6,.61,)|
Structure:
Search PDB for entries with ligand similarity: