Reaction Details |
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Target | Plasma kallikrein |
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Ligand | BDBM335977 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Enzyme Inhibition Assay |
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Ki | 0.640±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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BDBM335977 |
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n/a |
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Name | BDBM335977 |
Synonyms: | 4-(2-(3-(3-chloro-2,6- difluorophenyl)-4,5- dihydroisoxazole-5- carbonyl)-5-(4- methylpiperazin-1-yl)- 1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid, 2 TFA salt | US9738655, Example 205 |
Type | Small organic molecule |
Emp. Form. | C32H30ClF2N5O5 |
Mol. Mass. | 638.061 |
SMILES | CN1CCN(CC1)c1cccc2C(N(CCc12)C(=O)C1CC(=NO1)c1c(F)ccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |c:24| |
Structure |
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