Reaction Details |
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Target | Coagulation factor XI |
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Ligand | BDBM335975 |
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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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 70130.58 |
Organism: | Homo sapiens (Human) |
Description: | P03951 |
Residue: | 625 |
Sequence: | MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFT
FTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDM
KGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITK
LDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFT
FFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTD
FLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKIL
HGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSI
IGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYD
IALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLV
TNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCA
QRERPGVYTNVVEYVDWILEKTQAV
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BDBM335975 |
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n/a |
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Name | BDBM335975 |
Synonyms: | 4-(2-(3-(3-chlorophenyl)- 4,5-dihydroisoxazole-5- carbonyl)-5-(4-(pyrrolidin- 1-yl)piperidin-1-yl)- 1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid, 2 TFA salt | US9738655, Example 203 | US9738655, Example 204 |
Type | Small organic molecule |
Emp. Form. | C36H38ClN5O5 |
Mol. Mass. | 656.17 |
SMILES | OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCC(CC2)N2CCCC2)C(=O)C2CC(=NO2)c2cccc(Cl)c2)cc1 |c:39| |
Structure |
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