Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50093057
Substrate
n/a
Meas. Tech.
ChEBML_209068
IC50
>2500±n/a nM
Citation
 Semple, JE; Levy, OE; Minami, NK; Owens, TD; Siev, DV Novel, potent and selective chimeric FXa inhibitors featuring hydrophobic P1-ketoamide moieties. Bioorg Med Chem Lett 10:2305-9 (2001) [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:
BDBM50093057
Synonyms:
(R)-5-Guanidino-2-phenylmethanesulfonylamino-pentanoic acid [((S)-3-carbamimidoyl-2-hydroxy-cyclohexylcarbamoyl)-methyl]-methyl-amide | CHEMBL431985
Type:
Small organic molecule
Emp. Form.:
C23H38N8O5S
Mol. Mass.:
538.663
SMILES:
CN(CC(=O)N[C@H]1CCCC(C1O)C(N)=N)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: