| Reaction Details |
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 | Report a problem with these data |
| Target | Coagulation factor XI |
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| Ligand | BDBM50591671 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2201283 (CHEMBL5113991) |
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| Ki | 0.900000±n/a nM |
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| Citation |  Carle, V; Wu, Y; Mukherjee, R; Kong, XD; Rogg, C; Laurent, Q; Cecere, E; Villequey, C; Konakalla, MS; Maric, T; Lamers, C; Díaz-Perlas, C; Butler, K; Goto, J; Stegmayr, B; Heinis, C Development of Selective FXIa Inhibitors Based on Cyclic Peptides and Their Application for Safe Anticoagulation. J Med Chem64:6802-6813 (2021) [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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| BDBM50591671 |
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| n/a |
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| Name | BDBM50591671 |
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| Synonyms: | CHEMBL5191603 |
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| Type | Small organic molecule |
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| Emp. Form. | C95H157N31O22S4 |
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| Mol. Mass. | 2213.718 |
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| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(O)=O)n2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSCc2cccc(CSC[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1)n2)C(C)C)[C@@H](C)O |r| |
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| Structure | 
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