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Target
Vitamin K-dependent protein C
Ligand
BDBM108112
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
250±0.0 nM
Citation
 Herold, P; Daghish, M; Jelakovic, S; Ludwig, F; Reichelt, C; Schulze, A; Schweinitz, A Trypsin-like serine protease inhibitors, and their preparation and use US Patent  US8598206 Publication Date 12/3/2013 
Target
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:
MWQLTSLLLFVATWGISGTPAPLDSVFSSSERAHQVLRIRKRANSFLEELRHSSLERECIEEICDFEEAKEIFQNVDDTLAFWSKHVDGDQCLVLPLEHPCASLCCGHGTCIDGIGSFSCDCRSGWEGRFCQREVSFLNCSLDNGGCTHYCLEEVGWRRCSCAPGYKLGDDLLQCHPAVKFPCGRPWKRMEKKRSHLKRDTEDQEDQVDPRLIDGKMTRRGDSPWQVVLLDSKKKLACGAVLIHPSWVLTAAHCMDESKKLLVRLGEYDLRRWEKWELDLDIKEVFVHPNYSKSTTDNDIALLHLAQPATLSQTIVPICLPDSGLAERELNQAGQETLVTGWGYHSSREKEAKRNRTFVLNFIKIPVVPHNECSEVMSNMVSENMLCAGILGDRQDACEGDSGGPMVASFHGTWFLVGLVSWGEGCGLLHNYGVYTKVSRYLDWIHGHIRDKEAPQKSWAP
  
Inhibitor
Name:
BDBM108112
Synonyms:
US8598206, Table 6, 21
Type:
Small organic molecule
Emp. Form.:
C33H44N7O5S
Mol. Mass.:
650.811
SMILES:
NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.34,11.20,c:32,t:27,29,(11.34,2.69,;10,3.47,;10,5,;8.67,2.69,;8.67,1.15,;7.34,.38,;6,1.15,;4.67,.38,;3.33,1.15,;2,.38,;2,-1.15,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;3.33,5.78,;3.33,7.31,;2,8.08,;.67,7.31,;.67,5.78,;-.67,.38,;-2,1.15,;-2,2.69,;-3.33,.38,;-3.33,-1.15,;-2,-1.93,;-2,-3.47,;-3.33,-4.23,;-3.33,-5.78,;-2,-6.54,;-2,-8.08,;-.67,-5.78,;-.67,-4.23,;-4.67,1.15,;-6,.38,;-6.77,-.95,;-5.23,-.95,;-7.34,1.15,;-8.67,.38,;-10,1.15,;-11.34,.38,;-11.34,-1.15,;-10,-1.93,;-8.67,-1.15,;6,2.69,;7.34,3.47,)|
Structure:
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