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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prothrombin | ||
| Ligand | BDBM50096629 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_32965 | ||
| Ki | 0.090000±n/a nM | ||
| Citation |  Bachand, B; Tarazi, M; St-Denis, Y; Edmunds, JJ; Winocour, PD; Leblond, L; Siddiqui, MA Potent and selective bicyclic lactam inhibitors of thrombin. Part 4: transition state inhibitors. Bioorg Med Chem Lett11:287-90 (2001) [PubMed] | ||
| 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: |
| ||
| BDBM50096629 | |||
| n/a | |||
| Name | BDBM50096629 | ||
| Synonyms: | 3-(4-Amino-cyclohexyl)-2-oxo-3-[((6S,8aS)-4-oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carbonyl)-amino]-propionic acid | CHEMBL3084828 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H32N4O7S | ||
| Mol. Mass. | 520.598 | ||
| SMILES | [H][C@@]12CC[C@H](N1C(=O)CN(C2)S(=O)(=O)Cc1ccccc1)C(=O)NC([C@H]1CC[C@H](N)CC1)C(=O)C(O)=O |wU:4.23,28.31,1.0,wD:25.27,(5.13,2.97,;5.13,1.42,;6.6,1.89,;7.51,.65,;6.6,-.59,;5.13,-.12,;3.8,-.9,;3.8,-2.44,;2.46,-.12,;2.46,1.42,;3.8,2.19,;1.11,2.19,;.34,.84,;1.88,3.55,;-.23,2.96,;-.25,4.5,;-1.58,5.28,;-1.58,6.83,;-.25,7.6,;1.08,6.83,;1.08,5.28,;7.07,-2.07,;6.04,-3.21,;8.57,-2.39,;9.05,-3.87,;8,-5.01,;6.51,-4.68,;5.47,-5.81,;5.95,-7.27,;4.92,-8.43,;7.44,-7.61,;8.47,-6.48,;10.55,-4.19,;11.58,-3.06,;11.02,-5.67,;12.42,-6.3,;9.87,-6.69,)| | ||
| Structure | 
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