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TargetPlasma kallikrein
LigandBDBM335982
Substrate/Competitorn/a
Meas. Tech.Enzyme Inhibition Assay
Ki 1.34±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
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  Blast E-value cutoff:
BDBM335982
NameBDBM335982
Synonyms:4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triazole-4-carbonyl)-5-(4- (pyrrolidin-1-yl)piperidin- 1-yl)-1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid, 2 TFA salt | US9738655, Example 210
TypeSmall organic molecule
Emp. Form.C35H35ClFN7O4
Mol. Mass.672.148
SMILESOC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCC(CC2)N2CCCC2)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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