Reaction Details | |||
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Target | Prothrombin | ||
Ligand | BDBM50056773 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_208888 (CHEMBL814945) | ||
Ki | 0.100000±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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BDBM50056773 | |||
n/a | |||
Name | BDBM50056773 | ||
Synonyms: | (S)-1-(2-Amino-3,3-diphenyl-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide | CHEMBL168741 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H36N4O2 | ||
Mol. Mass. | 448.6003 | ||
SMILES | NC(C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1 |wU:21.24,(4.23,-10.4,;5.49,-9.52,;5.36,-7.98,;6.62,-7.1,;5.84,-5.77,;6.62,-4.44,;8.16,-4.44,;8.92,-5.77,;8.16,-7.1,;3.97,-7.33,;3.85,-5.81,;2.46,-5.14,;1.19,-6.03,;1.31,-7.56,;2.71,-8.22,;6.89,-10.18,;7,-11.71,;8.15,-9.29,;8.14,-7.75,;9.66,-7.31,;10.53,-8.57,;9.59,-9.8,;10.05,-11.26,;9,-12.39,;11.55,-11.61,;12.6,-10.48,;12.15,-9.01,;13.36,-8.19,;12.84,-6.74,;12.85,-5.08,;12.08,-3.75,;11.76,-6.18,;12.31,-7.56,)| | ||
Structure |