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Target
Prothrombin
Ligand
BDBM50272500
Substrate
n/a
Meas. Tech.
ChEMBL_510235 (CHEMBL1005613)
Ki
13342±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:
BDBM50272500
Synonyms:
(S)-2-[(2R,3R)-3-Hydroxy-2-(propane-1-sulfonylamino)-butyrylamino]-pentanedioic acid 5-amide 1-(4-carbamimidoyl-benzylamide) | CHEMBL498675
Type:
Small organic molecule
Emp. Form.:
C20H32N6O6S
Mol. Mass.:
484.57
SMILES:
CCCS(=O)(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N |r|
Structure:
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