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Target
Prothrombin
Ligand
BDBM50070598
Substrate
n/a
Meas. Tech.
ChEBML_197824
Ki
33±n/a nM
Citation
 Lu, T; Tomczuk, B; Illig, CR; Bone, R; Murphy, L; Spurlino, J; Salemme, FR; Soll, RM In vitro evaluation and crystallographic analysis of a new class of selective, non-amide-based thrombin inhibitors. Bioorg Med Chem Lett 8:1595-600 (1999) [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:
BDBM50070598
Synonyms:
2-Chloro-benzenesulfonic acid 3-(3-guanidino-propoxy)-5-methyl-phenyl ester | CHEMBL291062
Type:
Small organic molecule
Emp. Form.:
C17H20ClN3O4S
Mol. Mass.:
397.876
SMILES:
Cc1cc(OCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Structure:
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