| Reaction Details |
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 | Report a problem with these data |
| Target | Plasma kallikrein |
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| Ligand | BDBM336064 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| Ki | 1.82±n/a nM |
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| Citation |  Pinto, DJ; Clarke, CG; Smith, II, LM; Orwat, MJ; Jeon, Y; Corte, JR Tetrahydroisoquinolines containing substituted azoles as factor XIa inhibitors US Patent US9738655 Publication Date 8/22/2017 |
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| More Info.: | Get all data from this article, Assay Method |
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| Plasma kallikrein |
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| Name: | Plasma kallikrein |
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| Synonyms: | Fletcher factor | KLK3 | KLKB1 | KLKB1_HUMAN | Kallikrein | Kininogenin | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein |
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| Type: | Protein |
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| Mol. Mass.: | 71391.16 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P03952 |
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| Residue: | 638 |
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| Sequence: | MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLF
SFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVD
MRGVNFNVSKVSSVEECQKRCTSNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIK
VLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFF
TFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGV
DFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRI
AYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCG
GSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEG
NHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNI
PLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGE
GCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA
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| BDBM336064 |
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| n/a |
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| Name | BDBM336064 |
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| Synonyms: | (S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3-triazole- 4-carbonyl)-5-(4-methyl-3- oxopiperizin-1-yl)-1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid, TFA salt | US9738655, Example 287 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H27ClFN7O5 |
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| Mol. Mass. | 632.041 |
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| SMILES | CN1CCN(CC1=O)c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r| |
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| Structure | 
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