Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50337493
Substrate
n/a
Meas. Tech.
ChEMBL_728395 (CHEMBL1685171)
Ki
3.5±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:
BDBM50337493
Synonyms:
CHEMBL1682767 | N,N-diisobutyl-3-methyl-5-(2-(5-methyl-1H-imidazol-4-yl)ethoxy)benzamide
Type:
Small organic molecule
Emp. Form.:
C22H33N3O2
Mol. Mass.:
371.5163
SMILES:
CC(C)CN(CC(C)C)C(=O)c1cc(C)cc(OCCc2[nH]cnc2C)c1
Structure:
Search PDB for entries with ligand similarity: