Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50075871
Substrate
n/a
Meas. Tech.
ChEBML_208353
Ki
61±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:
BDBM50075871
Synonyms:
4-[(S)-1-(4-Hydroxy-piperidin-1-ylmethyl)-2-phenyl-ethylamino]-pyridine-3-sulfonic acid {(S)-1-benzyl-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide | CHEMBL162002
Type:
Small organic molecule
Emp. Form.:
C35H46FN5O4S
Mol. Mass.:
651.834
SMILES:
OC1CCN(C[C@H](Cc2ccccc2)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CCF)CC2)CC1
Structure:
Search PDB for entries with ligand similarity: