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Target
Prothrombin
Ligand
BDBM50272537
Substrate
n/a
Meas. Tech.
ChEMBL_510235 (CHEMBL1005613)
Ki
760±n/a nM
Citation
 Shiraishi, T; Kadono, S; Haramura, M; Kodama, H; Ono, Y; Iikura, H; Esaki, T; Koga, T; Hattori, K; Watanabe, Y; Sakamoto, A; Yoshihashi, K; Kitazawa, T; Esaki, K; Ohta, M; Sato, H; Kozono, T Factor VIIa inhibitors: target hopping in the serine protease family using X-ray structure determination. Bioorg Med Chem Lett 18:4533-7 (2008) [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:
BDBM50272537
Synonyms:
(2R,3R)-N-[(S)-1-(4-Carbamimidoyl-benzylcarbamoyl)-3-methylsulfanyl-propyl]-3-hydroxy-2-phenylmethanesulfonylamino-butyramide | CHEMBL498339
Type:
Small organic molecule
Emp. Form.:
C24H33N5O5S2
Mol. Mass.:
535.679
SMILES:
CSCC[C@H](NC(=O)[C@H](NS(=O)(=O)Cc1ccccc1)[C@@H](C)O)C(=O)NCc1ccc(cc1)C(N)=N |r|
Structure:
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