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TargetPlasma kallikrein
LigandBDBM335975
Substrate/Competitorn/a
Meas. Tech.Enzyme Inhibition Assay
Ki 1.29±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:
BDBM335975
NameBDBM335975
Synonyms:4-(2-(3-(3-chlorophenyl)- 4,5-dihydroisoxazole-5- carbonyl)-5-(4-(pyrrolidin- 1-yl)piperidin-1-yl)- 1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid, 2 TFA salt | US9738655, Example 203 | US9738655, Example 204
TypeSmall organic molecule
Emp. Form.C36H38ClN5O5
Mol. Mass.656.17
SMILESOC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCC(CC2)N2CCCC2)C(=O)C2CC(=NO2)c2cccc(Cl)c2)cc1 |c:39|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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