| Reaction Details |
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 | Report a problem with these data |
| Target | Plasma kallikrein |
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| Ligand | BDBM336072 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| Ki | 2.44±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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| BDBM336072 |
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| n/a |
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| Name | BDBM336072 |
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| Synonyms: | 4-((S)-2-((R)-3-(3-chloro-2- fluorophenyl)-4,5- dihydroisoxazole-5-carbonyl)-5- morpholino-1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid, TFA salt | US9738655, Example 295 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H28ClFN4O6 |
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| Mol. Mass. | 607.029 |
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| SMILES | OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCOCC2)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1 |r,c:33| |
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| Structure | 
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