Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50073296
Substrate
n/a
Meas. Tech.
ChEBML_208323
Ki
12±n/a nM
Citation
 Ambler, J; Baker, E; Brown, L; Butler, P; Farr, D; Dunnet, K; Le Grand, D; Janus, D; Jones, D; Menear, K; Mercer, M; Smith, G; Talbot, M; Tweed, M The discovery of orally available thrombin inhibitors: studies towards the optimisation of CGH1668. Bioorg Med Chem Lett 8:3583-8 (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:
BDBM50073296
Synonyms:
4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridine-3-sulfonic acid [(S)-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-1-(4-methylamino-benzyl)-2-oxo-ethyl]-amide | CHEMBL330776
Type:
Small organic molecule
Emp. Form.:
C31H40FN5O4S
Mol. Mass.:
597.744
SMILES:
CNc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1
Structure:
Search PDB for entries with ligand similarity: