Reaction Details | |||
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Target | Prothrombin | ||
Ligand | BDBM50126500 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEBML_208514 | ||
Ki | 0.750000±n/a nM | ||
Citation | Boatman, PD; Urban, J; Nguyen, M; Qabar, M; Kahn, M High-throughput synthesis and optimization of thrombin inhibitors via urazole alpha-addition and Michael addition. Bioorg Med Chem Lett13:1445-9 (2003) [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: |
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BDBM50126500 | |||
n/a | |||
Name | BDBM50126500 | ||
Synonyms: | 2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-2-yl}-3-(4-methoxy-phenylsulfanyl)-propionic acid methyl ester | CHEMBL431906 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H33N5O6S | ||
Mol. Mass. | 531.624 | ||
SMILES | COC(=O)C(CSc1ccc(OC)cc1)n1c(=O)n2CC=CC(C(=O)NC[C@H]3CC[C@H](N)CC3)n2c1=O |wU:27.27,wD:30.31,c:21,(-2.09,4.45,;-1.32,3.1,;.22,3.1,;.99,4.43,;.99,1.77,;.22,.44,;-1.32,.44,;-2.09,-.89,;-3.63,-.89,;-4.4,-2.22,;-3.63,-3.55,;-4.4,-4.88,;-3.63,-6.21,;-2.09,-3.55,;-1.32,-2.22,;2.53,1.77,;3.44,3.03,;2.97,4.48,;4.91,2.54,;6.24,3.31,;7.58,2.54,;7.58,1,;6.24,.23,;6.24,-1.31,;4.91,-2.08,;7.58,-2.08,;8.92,-1.31,;10.25,-2.08,;11.58,-1.31,;12.91,-2.11,;12.91,-3.65,;14.24,-4.41,;11.57,-4.41,;10.25,-3.64,;4.91,1,;3.44,.51,;2.96,-.94,)| | ||
Structure |