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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prothrombin | ||
| Ligand | BDBM21737 | ||
| Substrate/Competitor | BDBM21752 | ||
| Meas. Tech. | Enzyme Inhibition Assay | ||
| pH | 8.5±n/a | ||
| Temperature | 295.15±n/a K | ||
| Ki | 5000±n/a nM | ||
| Citation |  Li, P; Jiang, S; Lee, SL; Lin, CY; Johnson, MD; Dickson, RB; Michejda, CJ; Roller, PP Design and synthesis of novel and potent inhibitors of the type II transmembrane serine protease, matriptase, based upon the sunflower trypsin inhibitor-1. J Med Chem50:5976-83 (2007) [PubMed] Article | ||
| More Info.: | Get all data from this article, Solution Info, Assay Method | ||
| Prothrombin | |||
| Name: | Prothrombin | ||
| Synonyms: | Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin | THRB_BOVIN | Thrombin | Thrombin heavy chain | Thrombin light chain | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 70502.73 | ||
| Organism: | Bos taurus (Bovine) | ||
| Description: | P00735 | ||
| Residue: | 625 | ||
| Sequence: |
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| BDBM21737 | |||
| BDBM21752 | |||
| Name | BDBM21737 | ||
| Synonyms: | 2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,49S)-25-(4-aminobutyl)-49-benzyl-4,19-bis[(2S)-butan-2-yl]-34-(3-carbamimidamidopropyl)-28-[(1R)-1-hydroxyethyl]-22-(hydroxymethyl)-3,6,12,18,21,24,27,30,33,36,39,42,48,51-tetradecaoxo-53,54-dithia-2,5,11,17,20,23,26,29,32,35,38,41,47,50-tetradecaazapentacyclo[29.20.4.0^{7,11}.0^{13,17}.0^{43,47}]pentapentacontan-40-yl]acetic acid | CHEMBL453539 | Sunflower trypsin inhibitor-1(SFTI-1) | US20240010684, Ref. No 2 | ||
| Type | bicyclic peptide | ||
| Emp. Form. | C67H104N18O18S2 | ||
| Mol. Mass. | 1513.782 | ||
| SMILES | [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] |r| | ||
| Structure | 
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