Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Coagulation factor IX | ||
Ligand | BDBM50425649 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_937199 (CHEMBL2318525) | ||
Ki | >100000±n/a nM | ||
Citation | Saupe, SM; Leubner, S; Betz, M; Klebe, G; Steinmetzer, T Development of new cyclic plasmin inhibitors with excellent potency and selectivity. J Med Chem56:820-31 (2013) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Coagulation factor IX | |||
Name: | Coagulation factor IX | ||
Synonyms: | Christmas factor | Coagulation factor IX precursor | Coagulation factor IX/VIII | Coagulation factor IXa | Coagulation factor IXa heavy chain | Coagulation factor IXa light chain | F9 | FA9_HUMAN | Factor IX | Factor IXa | Factor IXa (fIXa) | PTC | Plasma thromboplastin component | ||
Type: | Enzyme | ||
Mol. Mass.: | 51768.83 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P00740 | ||
Residue: | 461 | ||
Sequence: |
| ||
BDBM50425649 | |||
n/a | |||
Name | BDBM50425649 | ||
Synonyms: | CHEMBL2315239 | ||
Type | Small organic molecule | ||
Emp. Form. | C41H47N9O6S | ||
Mol. Mass. | 793.934 | ||
SMILES | NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:36.37,wD:11.10,(23.09,-3.13,;23.07,-4.67,;24.39,-5.45,;21.73,-5.42,;21.7,-6.96,;20.35,-7.7,;19.04,-6.92,;17.69,-7.67,;16.38,-6.89,;15.03,-7.63,;15.01,-9.17,;13.71,-6.85,;12.36,-7.6,;12.35,-9.14,;11.01,-9.9,;11,-11.44,;12.33,-12.22,;12.32,-13.75,;10.99,-14.51,;10.98,-16.04,;9.67,-13.73,;8.33,-14.49,;7.02,-13.72,;5.69,-14.47,;5.67,-16,;6.99,-16.78,;8.33,-16.03,;4.33,-16.75,;5.78,-11.52,;7.12,-12.28,;5.77,-9.99,;7.09,-9.21,;7.08,-7.67,;8.4,-6.89,;9.74,-7.65,;11.07,-6.87,;11.05,-5.33,;9.71,-4.57,;8.38,-5.36,;7.6,-6.68,;9.15,-6.68,;7.04,-4.59,;5.72,-5.37,;4.38,-4.6,;3.05,-5.37,;3.05,-6.92,;4.38,-7.69,;5.72,-6.92,;12.38,-4.54,;12.37,-3,;13.72,-5.31,;9.76,-9.18,;8.44,-9.97,;13.67,-11.45,;13.68,-9.91,;19.05,-5.39,;20.39,-4.63,)| | ||
Structure |