| Reaction Details |
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 | Report a problem with these data |
| Target | Plasma kallikrein |
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| Ligand | BDBM336111 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| Ki | 1.40±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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| BDBM336111 |
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| n/a |
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| Name | BDBM336111 |
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| Synonyms: | 4-((S)-2-((R)-3-(3-Chloro-2-fluorophenyl)-4,5-dihydroisoxazole-5-carbonyl)-5-(3-isopropyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid, TFA salt | US9738655, Example 336 |
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| Type | Small organic molecule |
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| Emp. Form. | C35H33ClFN7O5 |
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| Mol. Mass. | 686.132 |
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| SMILES | CC(C)c1nnc2CN(CCn12)c1cccc2[C@H](N(CCc12)C(=O)[C@H]1CC(=NO1)c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r,c:30| |
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| Structure | 
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