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Target
Prothrombin
Ligand
BDBM50090242
Substrate
n/a
Meas. Tech.
ChEBML_208895
Ki
94±n/a nM
Citation
 Hayler, J; Kane, PD; LeGrand, D; Lugrin, F; Menear, K; Price, R; Allen, M; Cockcroft, X; Ambler, J; Butler, K; Dunnet, K; Mitchelson, A; Talbot, M; Tweed, M; Wills, N The design and synthesis of thrombin inhibitors: the introduction of in vivo efficacy and oral bioavailability into benzthiazolylalanine inhibitors. Bioorg Med Chem Lett 10:1567-70 (2000) [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:
BDBM50090242
Synonyms:
4-(8-{(S)-1-Benzothiazol-2-ylmethyl-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethylsulfamoyl}-3,3-dimethyl-1,2,3,4-tetrahydro-quinolin-6-yl)-butyric acid | CHEMBL289485
Type:
Small organic molecule
Emp. Form.:
C32H41FN4O5S2
Mol. Mass.:
644.82
SMILES:
CC1(C)CNc2c(C1)cc(CCCC(O)=O)cc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1
Structure:
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