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Target
Prothrombin
Ligand
BDBM50073298
Substrate
n/a
Meas. Tech.
ChEMBL_208353 (CHEMBL813663)
Ki
22±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:
BDBM50073298
Synonyms:
4-((S)-1-Benzyl-2-morpholin-4-yl-ethylamino)-pyridine-3-sulfonic acid {(S)-1-(4-amino-benzyl)-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide | 4-((S)-1-Morpholin-4-ylmethyl-2-phenyl-ethylamino)-pyridine-3-sulfonic acid {(S)-1-(4-amino-benzyl)-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide | CHEMBL118159
Type:
Small organic molecule
Emp. Form.:
C34H45FN6O4S
Mol. Mass.:
652.822
SMILES:
Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CN2CCOCC2)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1
Structure:
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