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Target
Prothrombin
Ligand
BDBM50096623
Substrate
n/a
Meas. Tech.
ChEBML_32965
Ki
0.130000±n/a nM
Citation
 Bachand, B; Tarazi, M; St-Denis, Y; Edmunds, JJ; Winocour, PD; Leblond, L; Siddiqui, MA Potent and selective bicyclic lactam inhibitors of thrombin. Part 4: transition state inhibitors. Bioorg Med Chem Lett 11:287-90 (2001) [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:
BDBM50096623
Synonyms:
3-(4-Amino-cyclohexyl)-2-oxo-3-[(4-oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carbonyl)-amino]-propionic acid methyl ester | CHEMBL3084833
Type:
Small organic molecule
Emp. Form.:
C25H34N4O7S
Mol. Mass.:
534.625
SMILES:
[H][C@@]12CC[C@H](N1C(=O)CN(C2)S(=O)(=O)Cc1ccccc1)C(=O)NC([C@H]1CC[C@H](N)CC1)C(=O)C(=O)OC |wU:4.23,28.31,1.0,wD:25.27,(3.92,9.02,;3.92,7.48,;5.38,7.95,;6.28,6.69,;5.38,5.45,;3.92,5.93,;2.59,5.15,;2.59,3.6,;1.25,5.93,;1.25,7.48,;2.59,8.23,;-.09,8.23,;-.87,6.9,;.66,9.6,;-1.43,9.02,;-1.45,10.56,;-2.79,11.34,;-2.79,12.91,;-1.45,13.66,;-.11,12.91,;-.11,11.34,;5.84,3.98,;4.82,2.84,;7.33,3.65,;7.81,2.16,;6.77,1.02,;5.28,1.36,;4.24,.22,;4.72,-1.24,;3.7,-2.39,;6.21,-1.58,;7.25,-.42,;9.3,1.85,;10.34,2.98,;9.81,.32,;8.66,-.81,;11.36,-.02,;11.85,-1.53,)|
Structure:
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