Reaction Details Report a problem with these data
Target
Plasma kallikrein
Ligand
BDBM50136575
Substrate
n/a
Meas. Tech.
ChEMBL_1548351 (CHEMBL3756135)
Ki
7.5±n/a nM
Citation
 Smith, LM; Orwat, MJ; Hu, Z; Han, W; Wang, C; Rossi, KA; Gilligan, PJ; Pabbisetty, KB; Osuna, H; Corte, JR; Rendina, AR; Luettgen, JM; Wong, PC; Narayanan, R; Harper, TW; Bozarth, JM; Crain, EJ; Wei, A; Ramamurthy, V; Morin, PE; Xin, B; Zheng, J; Seiffert, DA; Quan, ML; Lam, PY; Wexler, RR; Pinto, DJ Novel phenylalanine derived diamides as Factor XIa inhibitors. Bioorg Med Chem Lett 26:472-8 (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:
BDBM50136575
Synonyms:
CHEMBL3752610
Type:
Small organic molecule
Emp. Form.:
C31H27ClFN7O5
Mol. Mass.:
632.041
SMILES:
CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r|
Structure:
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