Reaction Details | |||
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Target | Vitamin K-dependent protein C | ||
Ligand | BDBM50425648 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_937463 (CHEMBL2320211) | ||
Ki | >15000±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 | ||
Vitamin K-dependent protein C | |||
Name: | Vitamin K-dependent protein C | ||
Synonyms: | Activated protein C cofactor | Anticoagulant protein C | Apolipoprotein H | Autoprothrombin IIA | Blood coagulation factor XIV | Coagulation factor V | Coagulation factor V heavy chain | Coagulation factor V light chain | Endothelial protein C receptor | PROC | PROC_HUMAN | Proaccelerin, labile factor | Vitamin K-dependent protein C precursor | ||
Type: | Enzyme | ||
Mol. Mass.: | 52067.73 | ||
Organism: | Homo sapiens (Human) | ||
Description: | n/a | ||
Residue: | 461 | ||
Sequence: |
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BDBM50425648 | |||
n/a | |||
Name | BDBM50425648 | ||
Synonyms: | CHEMBL2315243 | ||
Type | Small organic molecule | ||
Emp. Form. | C43H51N9O6S | ||
Mol. Mass. | 821.987 | ||
SMILES | NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:38.39,wD:11.10,(46.28,-21.08,;46.25,-22.61,;47.58,-23.4,;44.91,-23.37,;44.89,-24.91,;43.54,-25.65,;42.23,-24.87,;40.88,-25.62,;39.56,-24.83,;38.22,-25.58,;38.2,-27.12,;36.89,-24.79,;35.55,-25.54,;35.54,-27.08,;34.2,-27.85,;34.19,-29.38,;35.52,-30.16,;35.62,-31.71,;36.95,-32.47,;38.28,-31.7,;36.96,-34.01,;35.64,-34.78,;34.31,-34.02,;32.98,-34.79,;31.65,-34.04,;31.65,-32.51,;32.96,-31.72,;34.3,-32.49,;30.32,-31.75,;30.3,-30.22,;28.97,-29.47,;27.65,-30.24,;28.95,-27.93,;30.28,-27.15,;30.26,-25.61,;31.59,-24.83,;32.93,-25.59,;34.25,-24.82,;34.24,-23.28,;32.9,-22.51,;31.57,-23.3,;30.79,-24.63,;32.33,-24.63,;30.23,-22.53,;28.9,-23.31,;27.57,-22.54,;26.24,-23.32,;26.23,-24.86,;27.57,-25.63,;28.91,-24.86,;35.57,-22.49,;35.56,-20.95,;36.91,-23.25,;32.95,-27.13,;31.63,-27.92,;36.86,-29.39,;36.86,-27.86,;42.24,-23.33,;43.58,-22.57,)| | ||
Structure |