Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM50201263
Substrate
n/a
Meas. Tech.
ChEMBL_1623083 (CHEMBL3865435)
Ki
>1000±n/a nM
Citation
 Wurtz, NR; Parkhurst, BL; Jiang, W; DeLucca, I; Zhang, X; Ladziata, V; Cheney, DL; Bozarth, JR; Rendina, AR; Wei, A; Luettgen, JM; Wu, Y; Wong, PC; Seiffert, DA; Wexler, RR; Priestley, ES Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett 7:1077-1081 (2016) [PubMed]  Article 
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:
BDBM50201263
Synonyms:
CHEMBL3962367
Type:
Small organic molecule
Emp. Form.:
C33H37FN4O8S
Mol. Mass.:
668.732
SMILES:
COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r|
Structure:
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