| Reaction Details |
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 | Report a problem with these data |
| Target | Coagulation factor XI |
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| Ligand | BDBM335801 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| Ki | <5.00±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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| Coagulation factor XI |
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| Name: | Coagulation factor XI |
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| Synonyms: | Coagulation factor XIa | Coagulation factor XIa heavy chain | Coagulation factor XIa light chain | F11 | FA11_HUMAN | FXI | Factor XIa | Factor XIa (fXIa) | PTA | Plasma thromboplastin antecedent |
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| Type: | Enzyme |
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| Mol. Mass.: | 70130.58 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P03951 |
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| Residue: | 625 |
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| Sequence: | MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFT
FTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDM
KGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITK
LDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFT
FFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTD
FLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKIL
HGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSI
IGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYD
IALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLV
TNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCA
QRERPGVYTNVVEYVDWILEKTQAV
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| BDBM335801 |
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| n/a |
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| Name | BDBM335801 |
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| Synonyms: | (S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-imidazole- 4-carbonyl)-5-(4- (dimethylamino)piperidin-1- yl)-1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid, bis-TFA salt | US9738655, Example 55 |
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| Type | Small organic molecule |
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| Emp. Form. | C34H34ClFN6O4 |
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| Mol. Mass. | 645.123 |
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| SMILES | CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)c1cn(cn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r| |
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| Structure | 
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