| Reaction Details |
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 | Report a problem with these data |
| Target | Coagulation factor XI |
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| Ligand | BDBM12966 |
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| Substrate/Competitor | BDBM12947 |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| IC50 | 356±n/a nM |
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| Citation |  Lin, J; Deng, H; Jin, L; Pandey, P; Quinn, J; Cantin, S; Rynkiewicz, MJ; Gorga, JC; Bibbins, F; Celatka, CA; Nagafuji, P; Bannister, TD; Meyers, HV; Babine, RE; Hayward, NJ; Weaver, D; Benjamin, H; Stassen, F; Abdel-Meguid, SS; Strickler, JE Design, synthesis, and biological evaluation of peptidomimetic inhibitors of factor XIa as novel anticoagulants. J Med Chem49:7781-91 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, 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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| BDBM12966 |
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| BDBM12947 |
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| Name | BDBM12966 |
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| Synonyms: | alpha-ketothiazole analogue 26 | benzyl N-[(1S)-1-{[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-3-methylbutyl]carbamate |
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| Type | Small organic molecule |
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| Emp. Form. | C28H41N7O5S |
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| Mol. Mass. | 587.734 |
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| SMILES | [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| |
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| Structure | 
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