Reaction Details |
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Target | Coagulation factor XI |
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Ligand | BDBM50183924 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_364595 (CHEMBL854192) |
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IC50 | 956±n/a nM |
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Citation | Deng, H; Bannister, TD; Jin, L; Babine, RE; Quinn, J; Nagafuji, P; Celatka, CA; Lin, J; Lazarova, TI; Rynkiewicz, MJ; Bibbins, F; Pandey, P; Gorga, J; Meyers, HV; Abdel-Meguid, SS; Strickler, JE Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine. Bioorg Med Chem Lett16:3049-54 (2006) [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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BDBM50183924 |
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n/a |
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Name | BDBM50183924 |
Synonyms: | (S)-2-[(R)-2-(3-fluoro-phenyl)-2-hydroxy-acetylamino]-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide | CHEMBL210624 |
Type | Small organic molecule |
Emp. Form. | C22H29FN6O4S |
Mol. Mass. | 492.567 |
SMILES | [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#8])-c1cccc(F)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 |
Structure |
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