Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM238256
Substrate
n/a
Meas. Tech.
Factor Xa and Thrombin Enzyme Assay
IC50
>100000±n/a nM
Citation
 Imagawa, A; Kondo, T; Nishiyama, T; Courtney, S; Yarnold, C; Ichihara, O; Flanagan, S Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases US Patent  US9585881 Publication Date 3/7/2017 
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:
BDBM238256
Synonyms:
US10336741, Example 55 | US10882855, Example 55 | US9394250, 55 | US9585881, Example 55
Type:
Small organic molecule
Emp. Form.:
C27H39N5O6S
Mol. Mass.:
561.693
SMILES:
NC[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H](C[C@H]1C(=O)Nc1ccc(cc1)C(O)=O)N1CCN(CC1)S(=O)(=O)C1CC1 |r,wU:2.1,12.29,14.16,wD:5.8,(-7.93,-8.37,;-7.93,-6.83,;-6.6,-6.06,;-6.6,-4.52,;-5.26,-3.75,;-3.93,-4.52,;-3.93,-6.06,;-5.26,-6.83,;-2.6,-3.75,;-1.26,-4.52,;-2.6,-2.21,;-3.84,-1.3,;-3.37,.16,;-1.83,.16,;-1.35,-1.3,;-.02,-2.07,;-.02,-3.61,;1.32,-1.3,;2.65,-2.07,;3.98,-1.3,;5.32,-2.07,;5.37,-3.64,;3.98,-4.38,;2.65,-3.61,;6.7,-4.41,;6.7,-5.95,;8.03,-3.64,;-4.14,1.49,;-3.37,2.83,;-4.14,4.16,;-5.68,4.16,;-6.45,2.83,;-5.68,1.49,;-6.45,5.5,;-7.99,5.5,;-4.91,5.5,;-5.68,6.83,;-4.34,7.6,;-5.68,8.37,)|
Structure:
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