Reaction Details |
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Target | Coagulation factor XI |
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Ligand | BDBM50063669 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1463486 (CHEMBL3399896) |
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Ki | 2.7±n/a nM |
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Citation | Pinto, DJ; Smallheer, JM; Corte, JR; Austin, EJ; Wang, C; Fang, T; Smith, LM; Rossi, KA; Rendina, AR; Bozarth, JM; Zhang, G; Wei, A; Ramamurthy, V; Sheriff, S; Myers, JE; Morin, PE; Luettgen, JM; Seiffert, DA; Quan, ML; Wexler, RR Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties. Bioorg Med Chem Lett25:1635-42 (2015) [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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BDBM50063669 |
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n/a |
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Name | BDBM50063669 |
Synonyms: | CHEMBL3398641 |
Type | Small organic molecule |
Emp. Form. | C29H24Cl2N8O3 |
Mol. Mass. | 603.459 |
SMILES | COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| |
Structure |
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