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Target
Prothrombin
Ligand
BDBM50076953
Substrate
n/a
Meas. Tech.
ChEMBL_208867 (CHEMBL808333)
IC50
260±n/a nM
Citation
 Adang, AE; Peters, AM; Gerritsma, S; de Zwart, E; Veeneman, G Solution-phase and solid-phase synthesis of novel transition state inhibitors of coagulation enzymes incorporating a piperidinyl moiety. Bioorg Med Chem Lett 9:1227-32 (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:
BDBM50076953
Synonyms:
(R)-1-(3,3-Diphenyl-propionyl)-pyrrolidine-2-carboxylic acid ((S)-2-benzylcarbamoyl-2-oxo-1-piperidin-4-ylmethyl-ethyl)-amide | CHEMBL283570
Type:
Small organic molecule
Emp. Form.:
C36H42N4O4
Mol. Mass.:
594.7431
SMILES:
O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1C(=O)N[C@@H](CC1CCNCC1)C(=O)C(=O)NCc1ccccc1
Structure:
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