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Target
Prothrombin
Ligand
BDBM50080916
Substrate
n/a
Meas. Tech.
ChEMBL_208527 (CHEMBL873984)
Ki
20±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:
BDBM50080916
Synonyms:
CHEMBL84084 | N-[(S)-1-(1-Carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-2-thiazol-2-yl-ethyl]-2-[(R)-2-(3-chloro-benzyl)-3,6-dioxo-4-(3-phenyl-propyl)-piperazin-1-yl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C34H40ClN7O4S
Mol. Mass.:
678.244
SMILES:
NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3cccc(Cl)c3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1
Structure:
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