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Target
Prothrombin
Ligand
BDBM50080913
Substrate
n/a
Meas. Tech.
ChEMBL_208527 (CHEMBL873984)
Ki
55±n/a nM
Citation
 Cody, WL; Augelli-Szafran, CE; Berryman, KA; Cai, C; Doherty, AM; Edmunds, JJ; He, JX; Narasimhan, LS; Penvose-Yi, J; Plummer, JS; Rapundalo, ST; Rubin, JR; Van Huis, CA; Leblond, L; Winocour, PD; Siddiqui, 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:
BDBM50080913
Synonyms:
(S)-2-{2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-piperazin-1-yl]-acetylamino}-3-(1-carbamimidoyl-piperidin-3-yl)-N-methyl-propionamide | CHEMBL310722
Type:
Small organic molecule
Emp. Form.:
C32H43N7O4
Mol. Mass.:
589.7283
SMILES:
CNC(=O)[C@H](CC1CCCN(C1)C(N)=N)NC(=O)CN1[C@H](Cc2ccccc2)C(=O)N(CCCc2ccccc2)CC1=O
Structure:
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