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Target
Prothrombin
Ligand
BDBM50290018
Substrate
n/a
Meas. Tech.
ChEBML_207962
IC50
4300±n/a nM
Citation
 Salimbeni, A; Paleari, F; Canevotti, R; Criscuoli, M; Criscuoli, M; Lippi, A; Angiolini, M; Belvisi, L; Scolastico, C; Colombo, L Design and synthesis of conformationally constrained arginal thrombin inhibitors Bioorg Med Chem Lett 7:2205-2210 (1997)    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:
BDBM50290018
Synonyms:
(3S,6S,9aS)-6-Acetylamino-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carboxylic acid ((S)-1-carbamimidoyl-2-hydroxy-piperidin-3-yl)-amide; hydrochloride | CHEMBL557616
Type:
Small organic molecule
Emp. Form.:
C18H30N6O4
Mol. Mass.:
394.4686
SMILES:
CC(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCN(C1O)C(N)=N |r|
Structure:
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