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Target
Plasma kallikrein
Ligand
BDBM247411
Substrate
n/a
Meas. Tech.
ChEMBL_2155710 (CHEMBL5040370)
Ki
44±n/a nM
Citation
 Dilger, AK; Pabbisetty, KB; Corte, JR; De Lucca, I; Fang, T; Yang, W; Pinto, DJP; Wang, Y; Zhu, Y; Mathur, A; Li, J; Hou, X; Smith, D; Sun, D; Zhang, H; Krishnananthan, S; Wu, DR; Myers, JE; Sheriff, S; Rossi, KA; Chacko, S; Zheng, JJ; Galella, MA; Ziemba, T; Dierks, EA; Bozarth, JM; Wu, Y; Crain, E; Wong, PC; Luettgen, JM; Wexler, RR; Ewing, WR Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy. J Med Chem 65:1770-1785 (2022) [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:
BDBM247411
Synonyms:
US10336754, Example 353 | US11053247, Example 353 | US9453018, 353
Type:
Small organic molecule
Emp. Form.:
C28H23Cl2F2N9O2
Mol. Mass.:
626.444
SMILES:
C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Structure:
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