| Reaction Details |
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 | Report a problem with these data |
| Target | Trypsin |
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| Ligand | BDBM50123494 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1761088 (CHEMBL4196335) |
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| Ki | 202000±n/a nM |
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| Citation |  Xie, Z; Tian, Y; Lv, X; Xiao, X; Zhan, M; Cheng, K; Li, S; Liao, C The selectivity and bioavailability improvement of novel oral anticoagulants: An overview. Eur J Med Chem146:299-317 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Trypsin |
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| Name: | Trypsin |
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| Synonyms: | Serine protease 1/Trypsin-2/Trypsin-3 |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 2155713 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Serine protease 1 |
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| Synonyms: | Alpha-trypsin chain 1 | Alpha-trypsin chain 2 | Beta-trypsin | Cationic trypsinogen | PRSS1 | Serine protease 1 | TRP1 | TRY1 | TRY1_HUMAN | TRYP1 | Thrombin & trypsin | Trypsin | Trypsin I | Trypsin-1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 26557.80 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P07477 |
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| Residue: | 247 |
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| Sequence: | MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVS
AGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVIN
ARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKIT
SNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIK
NTIAANS
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| Component 2 |
| Name: | Trypsin-2 |
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| Synonyms: | Anionic trypsinogen | PRSS2 | Serine protease 2 | TRY2 | TRY2_HUMAN | TRYP2 | Thrombin & trypsin | Trypsin | Trypsin II | Trypsin-2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 26479.43 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_41517 |
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| Residue: | 247 |
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| Sequence: | MNLLLILTFVAAAVAAPFDDDDKIVGGYICEENSVPYQVSLNSGYHFCGGSLISEQWVVS
AGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPKYNSRTLDNDILLIKLSSPAVIN
SRVSAISLPTAPPAAGTESLISGWGNTLSSGADYPDELQCLDAPVLSQAECEASYPGKIT
NNMFCVGFLEGGKDSCQGDSGGPVVSNGELQGIVSWGYGCAQKNRPGVYTKVYNYVDWIK
DTIAANS
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| Component 3 |
| Name: | Trypsin-3 |
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| Synonyms: | Brain trypsinogen | Mesotrypsinogen | PRSS3 | PRSS4 | Serine protease 3 | Serine protease 4 | TRY3 | TRY3_HUMAN | TRY4 | Thrombin & trypsin | Trypsin | Trypsin III | Trypsin IV | Trypsin-3 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 32532.52 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_216043 |
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| Residue: | 304 |
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| Sequence: | MCGPDDRCPARWPGPGRAVKCGKGLAAARPGRVERGGAQRGGAGLELHPLLGGRTWRAAR
DADGCEALGTVAVPFDDDDKIVGGYTCEENSLPYQVSLNSGSHFCGGSLISEQWVVSAAH
CYKTRIQVRLGEHNIKVLEGNEQFINAAKIIRHPKYNRDTLDNDIMLIKLSSPAVINARV
STISLPTTPPAAGTECLISGWGNTLSFGADYPDELKCLDAPVLTQAECKASYPGKITNSM
FCVGFLEGGKDSCQRDSGGPVVCNGQLQGVVSWGHGCAWKNRPGVYTKVYNYVDWIKDTI
AANS
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| BDBM50123494 |
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| n/a |
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| Name | BDBM50123494 |
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| Synonyms: | 2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-pyridin-2-ylmethyl)-acetamide | CHEMBL30054 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H16ClF3N6O2 |
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| Mol. Mass. | 452.818 |
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| SMILES | Fc1cccnc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O |
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| Structure | 
|
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