Target
Prothrombin
Ligand
BDBM50080912
Substrate
n/a
Meas. Tech.
ChEMBL_208527 (CHEMBL873984)
Ki
825±n/a nM
Citation
 Cody, WLAugelli-Szafran, CEBerryman, KACai, CDoherty, AMEdmunds, JJHe, JXNarasimhan, LSPenvose-Yi, JPlummer, JSRapundalo, STRubin, JRVan Huis, CALeblond, LWinocour, PDSiddiqui, MA The design of potent and selective inhibitors of thrombin utilizing a piperazinedione template: part 2. Bioorg Med Chem Lett 9:2503-8 (1999) [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:
BDBM50080912
Synonyms:
2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-piperazin-1-yl]-N-[(S)-1-(1-carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-2-piperidin-1-yl-ethyl]-acetamide | CHEMBL83437
Type:
Small organic molecule
Emp. Form.:
C36H49N7O4
Mol. Mass.:
643.8188
SMILES:
NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)N2CCCCC2)C1
Structure:
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