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Target
Prothrombin
Ligand
BDBM50301563
Substrate
n/a
Meas. Tech.
ChEMBL_600518 (CHEMBL1049043)
IC50
44±n/a nM
Citation
 Hanessian, S; Therrien, E; Zhang, J; Otterlo, W; Xue, Y; Gustafsson, D; Nilsson, I; Fjellström, O From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs. Bioorg Med Chem Lett 19:5429-32 (2009) [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:
BDBM50301563
Synonyms:
CHEMBL568099 | N-(4-carbamimidoylbenzyl)-2-(1-(2-methoxy-4-methylphenylsulfonamido)-4-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C24H29N5O5S
Mol. Mass.:
499.583
SMILES:
COc1cc(C)ccc1S(=O)(=O)NN1CCC(C)=C(CC(=O)NCc2ccc(cc2)C(N)=N)C1=O |t:18|
Structure:
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