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Target
Prothrombin
Ligand
BDBM50131476
Substrate
n/a
Meas. Tech.
ChEBML_208517
Ki
5±n/a nM
Citation
 Nantermet, PG; Barrow, JC; Newton, CL; Pellicore, JM; Young, M; Lewis, SD; Lucas, BJ; Krueger, JA; McMasters, DR; Yan, Y; Kuo, LC; Vacca, JP; Selnick, HG Design and synthesis of potent and selective macrocyclic thrombin inhibitors. Bioorg Med Chem Lett 13:2781-4 (2003) [PubMed]  Article 
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:
BDBM50131476
Synonyms:
(S)-1-((S)-3-Amino-3-cyclohexyl-propionyl)-pyrrolidine-2-carboxylic acid 2,5-dichloro-benzylamide | CHEMBL94640
Type:
Small organic molecule
Emp. Form.:
C20H27Cl2N3O2
Mol. Mass.:
412.353
SMILES:
N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl
Structure:
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