| Reaction Details |
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 | Report a problem with these data |
| Target | Trypsin |
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| Ligand | BDBM50110387 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_212872 (CHEMBL817822) |
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| Ki | 2.5±n/a nM |
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| Citation |  Ho, JZ; Gibson, TS; Semple, JE Novel, potent non-covalent thrombin inhibitors incorporating p(3)-lactam scaffolds. Bioorg Med Chem Lett12:743-8 (2002) [PubMed] |
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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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|
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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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|
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| BDBM50110387 |
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| n/a |
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| Name | BDBM50110387 |
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| Synonyms: | 4-{2-[(S)-5-((S)-2,3-Dihydro-benzofuran-5-sulfonylamino)-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-2-yl]-2-oxo-ethyl}-piperidine-1-carboxamidine | CHEMBL163312 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H33N5O5S |
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| Mol. Mass. | 551.657 |
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| SMILES | NC(=N)N1CCC(CC(=O)[C@@H]2Cc3cccc4CC[C@H](NS(=O)(=O)c5ccc6OCCc6c5)C(=O)N2c34)CC1 |
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| Structure | 
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