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Target
Prothrombin
Ligand
BDBM50337485
Substrate
n/a
Meas. Tech.
ChEMBL_728395 (CHEMBL1685171)
Ki
0.68±n/a nM
Citation
 Isaacs, RC; Newton, CL; Cutrona, KJ; Mercer, SP; Payne, LS; Stauffer, KJ; Williams, PD; Cook, JJ; Krueger, JA; Lewis, SD; Lucas, BJ; Lyle, EA; Lynch, JJ; McMasters, DR; Naylor-Olsen, AM; Michener, MT; Wallace, AA Design, synthesis and SAR of a series of 1,3,5-trisubstituted benzenes as thrombin inhibitors. Bioorg Med Chem Lett 21:1536-40 (2011) [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:
BDBM50337485
Synonyms:
CHEMBL1682775 | N1-(2-(aminomethyl)-5-chlorobenzyl)-N3,N3-diisobutyl-5-methylisophthalamide
Type:
Small organic molecule
Emp. Form.:
C25H34ClN3O2
Mol. Mass.:
444.009
SMILES:
CC(C)CN(CC(C)C)C(=O)c1cc(C)cc(c1)C(=O)NCc1cc(Cl)ccc1CN
Structure:
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