Reaction Details |
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Target | Plasma kallikrein |
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Ligand | BDBM335761 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Enzyme Inhibition Assay |
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Ki | 4.55±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 |
Synonyms: | Fletcher factor | KLK3 | KLKB1 | KLKB1_HUMAN | 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
MRGVNFNVSKVSSVEECQKRCTSNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIK
VLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFF
TFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGV
DFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRI
AYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCG
GSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEG
NHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNI
PLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGE
GCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA
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BDBM335761 |
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n/a |
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Name | BDBM335761 |
Synonyms: | (S)-4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-4-carbonyl)-5-(6-cyanopyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid, TFA salt | US9738655, Example 16 |
Type | Small organic molecule |
Emp. Form. | C32H21ClFN7O4 |
Mol. Mass. | 622.005 |
SMILES | OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3-c2ccc(nc2)C#N)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1 |r| |
Structure |
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