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Target
Prothrombin
Ligand
BDBM50150489
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:
BDBM50150489
Synonyms:
CHEMBL541372 | N-{4-[1-(N-Benzyl-carbamimidoyl)-piperidin-4-yloxy]-phenyl}-N-(5-carbamimidoyl-1-cyclohexylcarbamoylmethyl-1H-benzoimidazol-2-ylmethyl)-terephthalamic acid; dihydrochloride
Type:
Small organic molecule
Emp. Form.:
C44H49N9O5
Mol. Mass.:
783.9172
SMILES:
NC(=N)c1ccc2n(CC(=O)NC3CCCCC3)c(CN(C(=O)c3ccc(cc3)C(O)=O)c3ccc(OC4CCN(CC4)C(N)=NCc4ccccc4)cc3)nc2c1 |w:45.48|
Structure:
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