Reaction Details |
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Target | Coagulation factor XI |
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Ligand | BDBM50331667 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_687648 (CHEMBL1290972) |
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IC50 | 103100±n/a nM |
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Citation | Hanessian, S; Larsson, A; Fex, T; Knecht, W; Blomberg, N Design and synthesis of macrocyclic indoles targeting blood coagulation cascade Factor XIa. Bioorg Med Chem Lett20:6925-8 (2010) [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 |
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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BDBM50331667 |
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n/a |
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Name | BDBM50331667 |
Synonyms: | CHEMBL1290074 | N-((R)-2-((S)-1-((2-allyl-5-chloro-1H-indol-3-yl)methylamino)-4-methyl-1-oxopentan-2-ylamino)-1-cyclohexyl-2-oxoethyl)pent-4-enamide |
Type | Small organic molecule |
Emp. Form. | C31H43ClN4O3 |
Mol. Mass. | 555.151 |
SMILES | CC(C)C[C@H](NC(=O)[C@H](NC(=O)CCC=C)C1CCCCC1)C(=O)NCc1c(CC=C)[nH]c2ccc(Cl)cc12 |r| |
Structure |
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