Target
Plasma kallikrein
Ligand
BDBM241552
Substrate
BDBM241595
Meas. Tech.
In Vitro Assay
Temperature
310.15±n/a K
Ki
2.51±n/a nM
Citation
 Yang, WCorte, JRGilligan, PJPinto, DJEwing, WRDilger, AKWang, YFang, TPabbisetty, KBSmith, II, LM Dihydropyridone p1 as factor XIa inhibitors US Patent  US9409908 Publication Date 8/9/2016 
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:
BDBM241552
Synonyms:
US9409908, 184 | US9951071, Example 184
Type:
Small organic molecule
Emp. Form.:
C30H26ClF2N7O2
Mol. Mass.:
590.023
SMILES:
C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2cc(F)ccc2NC1=O |r,c:9|
Structure:
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Substrate
Name:
BDBM241595
Synonyms:
US9409908, H-(D)-Pro-Phe-Arg-pNA
Type:
Small organic molecule
Emp. Form.:
C26H34N8O5
Mol. Mass.:
538.5988
SMILES:
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O
Structure:
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