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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prothrombin | ||
| Ligand | BDBM50056772 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_208361 | ||
| Ki | 0.090000±n/a nM | ||
| Citation |  Lyle, TA; Chen, Z; Appleby, SD; Freidinger, RM; Gardell, SJ; Lewis, SD; Li, Y; Lyle, EA; Lynch, JJ; Mulichak, AM; Ng, AS; Naylor-Olsen, AM; Sanders, WM Synthesis, evaluation, and crystallographic analysis of L-371,912: A potent and selective active-site thrombin inhibitor Bioorg Med Chem Lett7:67-72 (1997) Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Prothrombin | |||
| Name: | Prothrombin | ||
| Synonyms: | Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain | ||
| Type: | Protein | ||
| Mol. Mass.: | 70029.57 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P00734 | ||
| Residue: | 622 | ||
| Sequence: |
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| BDBM50056772 | |||
| n/a | |||
| Name | BDBM50056772 | ||
| Synonyms: | (S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid [(S)-1-(4-amino-cyclohexyl)-2-methylcarbamoyl-2-oxo-ethyl]-amide | CHEMBL442024 | L-370518 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H37N5O4 | ||
| Mol. Mass. | 471.5924 | ||
| SMILES | CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C1CCC(N)CC1)C(=O)C(=O)NC |wU:16.18,20.21,wD:2.1,(5.3,-14.61,;6.8,-15.03,;7.89,-13.94,;6.56,-13.17,;6.56,-11.63,;7.89,-10.85,;7.89,-9.32,;6.56,-8.55,;5.21,-9.32,;5.23,-10.86,;9.43,-14.1,;10.06,-15.5,;10.34,-12.86,;9.87,-11.39,;11.11,-10.48,;12.35,-11.39,;11.88,-12.86,;12.79,-14.1,;12.16,-15.5,;14.31,-13.94,;14.94,-12.54,;14.54,-11.04,;15.73,-9.71,;14.4,-8.06,;14.43,-6.61,;15,-5.16,;13.24,-7.94,;14.52,-9.5,;16.43,-12.93,;17.51,-11.84,;16.82,-14.42,;15.73,-15.5,;18.3,-14.82,;19.4,-13.73,)| | ||
| Structure | 
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