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Target
Prothrombin
Ligand
BDBM50157345
Substrate
n/a
Meas. Tech.
ChEMBL_304926 (CHEMBL877331)
IC50
>10000±n/a nM
Citation
 Ueno, H; Yokota, K; Hoshi, J; Yasue, K; Hayashi, M; Hase, Y; Uchida, I; Aisaka, K; Katoh, S; Cho, H Synthesis and structure-activity relationships of novel selective factor Xa inhibitors with a tetrahydroisoquinoline ring. J Med Chem 48:3586-604 (2005) [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:
BDBM50157345
Synonyms:
7-(1-Pyridin-2-ylmethyl-piperidin-4-ylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxamidine; trihydrochloride | CHEMBL538565
Type:
Small organic molecule
Emp. Form.:
C22H29N5O
Mol. Mass.:
379.4986
SMILES:
NC(=N)N1CCc2ccc(OCC3CCN(Cc4ccccn4)CC3)cc2C1
Structure:
Search PDB for entries with ligand similarity: