Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50075870
Substrate
n/a
Meas. Tech.
ChEBML_208353
Ki
28±n/a nM
Citation
 Ambler, J; Baker, E; Bentley, D; Brown, L; Butler, K; Butler, P; Farr, D; Dunnet, K; Le Grand, D; Hayler, J; Janus, D; Jones, D; Menear, K; Mercer, M; Smith, G; Talbot, M; Tweed, M Studies towards the identification of potent, selective and bioavailable thrombin inhibitors. Bioorg Med Chem Lett 9:737-42 (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:
BDBM50075870
Synonyms:
4-[(S)-1-(2-Hydroxy-ethoxymethyl)-2-phenyl-ethylamino]-pyridine-3-sulfonic acid [(S)-2-[4-(2-chloro-ethyl)-piperidin-1-yl]-1-(4-hydroxy-benzyl)-2-oxo-ethyl]-amide | CHEMBL163043
Type:
Small organic molecule
Emp. Form.:
C32H41ClN4O6S
Mol. Mass.:
645.209
SMILES:
OCCOC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CCCl)CC1
Structure:
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