Reaction Details | |||
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Target | Prothrombin | ||
Ligand | BDBM50454822 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_208888 (CHEMBL814945) | ||
Ki | 0.090000±n/a nM | ||
Citation | Tucker, TJ; Lumma, WC; Mulichak, AM; Chen, Z; Naylor-Olsen, AM; Lewis, SD; Lucas, R; Freidinger, RM; Kuo, LC Design of highly potent noncovalent thrombin inhibitors that utilize a novel lipophilic binding pocket in the thrombin active site. J Med Chem40:830-2 (1997) [PubMed] 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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BDBM50454822 | |||
n/a | |||
Name | BDBM50454822 | ||
Synonyms: | CHEMBL2062141 | L-370518 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H37N5O4 | ||
Mol. Mass. | 471.5924 | ||
SMILES | [H][C@@](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)(C(=O)C(=O)NC)[C@@]1([H])CC[C@H](N)CC1 |wU:1.0,wD:12.13,5.4,32.34,28.30,(9.54,-15.25,;8.45,-16.34,;7.42,-17.49,;5.92,-17.17,;5.44,-15.7,;4.89,-18.31,;5.21,-19.82,;3.87,-20.59,;2.73,-19.56,;3.35,-18.15,;2.58,-16.82,;3.35,-15.48,;1.04,-16.82,;.27,-15.48,;1.04,-14.15,;2.58,-14.15,;3.35,-12.82,;2.58,-11.48,;1.04,-11.48,;.27,-12.82,;.27,-18.15,;-1.27,-18.15,;7.98,-14.88,;6.47,-14.56,;9.01,-13.73,;10.51,-14.05,;8.53,-12.27,;9.56,-11.12,;9.96,-16.66,;8.87,-17.75,;10.99,-15.52,;12.5,-15.84,;12.97,-17.3,;14.48,-17.62,;11.94,-18.45,;10.44,-18.13,)| | ||
Structure |