| Reaction Details |
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 | Report a problem with these data |
| Target | Trypsin |
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| Ligand | BDBM50125048 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1522070 (CHEMBL3627230) |
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| Ki | 8.0±n/a nM |
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| Citation |  de Veer, SJ; Wang, CK; Harris, JM; Craik, DJ; Swedberg, JE Improving the Selectivity of Engineered Protease Inhibitors: Optimizing the P2 Prime Residue Using a Versatile Cyclic Peptide Library. J Med Chem58:8257-68 (2015) [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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| BDBM50125048 |
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| n/a |
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| Name | BDBM50125048 |
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| Synonyms: | CHEMBL3623788 |
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| Type | Small organic molecule |
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| Emp. Form. | C55H93N21O15S2 |
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| Mol. Mass. | 1352.589 |
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| SMILES | [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@]([H])(NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC |r| |
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| Structure | 
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