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Target
Prothrombin
Ligand
BDBM50182208
Substrate
n/a
Meas. Tech.
ChEMBL_354267 (CHEMBL870018)
IC50
14.8±n/a nM
Citation
 Lange, UE; Baucke, D; Hornberger, W; Mack, H; Seitz, W; Höffken, HW Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety. Bioorg Med Chem Lett 16:2648-53 (2006) [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:
BDBM50182208
Synonyms:
((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl)-carbamoyl]-piperidin-1-yl}-1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid | CHEMBL383314
Type:
Small organic molecule
Emp. Form.:
C24H36N6O4
Mol. Mass.:
472.5804
SMILES:
NC(=N)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Structure:
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