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TargetPlasma kallikrein
LigandBDBM335755
Substrate/Competitorn/a
Meas. Tech.Enzyme Inhibition Assay
Ki 1.08±n/a nM
Citation Pinto, DJClarke, CGSmith, II, LMOrwat, MJJeon, YCorte, JR Tetrahydroisoquinolines containing substituted azoles as factor XIa inhibitors US Patent US9738655 Publication Date 8/22/2017
More Info.:Get all data from this article,  Assay Method
 
Plasma kallikrein
Name:Plasma kallikrein
Synonyms:Fletcher factor | 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:
MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLF
SFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVD
MRGVNFNVSKVSSVEECQKRCTNNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIK
VLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFF
TFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGV
DFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRI
AYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCG
GSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEG
NHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNI
PLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGE
GCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM335755
NameBDBM335755
Synonyms:(S)-4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-4-carbonyl)-5-(4-((2-(dimethylamino)ethyl)carbamoyl)phenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid, TFA salt | US9738655, Example 10
TypeSmall organic molecule
Emp. Form.C37H33ClFN7O5
Mol. Mass.710.153
SMILESCN(C)CCNC(=O)c1ccc(cc1)-c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r|
Structure
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