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Target
Prothrombin
Ligand
BDBM50150488
Substrate
n/a
Meas. Tech.
ChEMBL_305397 (CHEMBL833047)
IC50
>10000±n/a nM
Citation
 Ueno, H; Katoh, S; Yokota, K; Hoshi, J; Hayashi, M; Uchida, I; Aisaka, K; Hase, Y; Cho, H Structure-activity relationships of potent and selective factor Xa inhibitors: benzimidazole derivatives with the side chain oriented to the prime site of factor Xa. Bioorg Med Chem Lett 14:4281-6 (2004) [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:
BDBM50150488
Synonyms:
2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-phenoxymethyl}-benzoimidazol-1-yl)-N-(3,4-dichloro-benzyl)-acetamide; dihydrochloride | CHEMBL541371
Type:
Small organic molecule
Emp. Form.:
C31H33Cl2N7O3
Mol. Mass.:
622.545
SMILES:
CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)NCc2ccc(Cl)c(Cl)c2)C(N)=N)cc1
Structure:
Search PDB for entries with ligand similarity: