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Target
Prothrombin
Ligand
BDBM50093722
Substrate
n/a
Meas. Tech.
ChEBML_208132
IC50
430.0±n/a nM
Citation
 Aoyama, Y; Uenaka, M; Konoike, T; Iso, Y; Nishitani, Y; Kanda, A; Naya, N; Nakajima, M Synthesis and structure-activity relationships of a new class of 1-oxacephem-based human chymase inhibitors. Bioorg Med Chem Lett 10:2397-401 (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:
Human
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM50093722
Synonyms:
(6R,7R)-3-(4-Carboxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-7-methoxy-7-(2-methoxy-benzoylamino)-8-oxo-5-oxa-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-methyl-benzyl ester | CHEMBL76522
Type:
Small organic molecule
Emp. Form.:
C29H29N5O9S
Mol. Mass.:
623.634
SMILES:
COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nncn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1 |c:30|
Structure:
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