| Reaction Details |
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 | Report a problem with these data |
| Target | Coagulation factor XI |
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| Ligand | BDBM50598726 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2227852 (CHEMBL5141365) |
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| Ki | 7.8±n/a nM |
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| Citation |  Xu, G; Liu, Z; Wang, X; Lu, T; DesJarlais, RL; Thieu, T; Zhang, J; Devine, ZH; Du, F; Li, Q; Milligan, CM; Shaffer, P; Cedervall, PE; Spurlino, JC; Stratton, CF; Pietrak, B; Szewczuk, LM; Wong, V; Steele, RA; Bruinzeel, W; Chintala, M; Silva, J; Gaul, MD; Macielag, MJ; Nargund, R Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J Med Chem65:10419-10440 (2022) [PubMed] Article |
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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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| BDBM50598726 |
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| n/a |
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| Name | BDBM50598726 |
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| Synonyms: | CHEMBL5171252 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H25ClN8O3 |
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| Mol. Mass. | 557.003 |
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| SMILES | COC(=O)Nc1ccc(cc1)-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |
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| Structure | 
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