Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM141387
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
8±n/a
Ki
3000±n/a nM
Comments
extracted
Citation
 Steinmetzer, T; Saupe, SM Serine protease inhibitors US Patent  US8921319 Publication Date 12/30/2014 
Target
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:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM141387
Synonyms:
US8921319, 3
Type:
Small organic molecule
Emp. Form.:
C45H47N7O6S
Mol. Mass.:
813.963
SMILES:
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4cccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)c4)cc3)cc1 |r|
Structure:
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