Target
Prothrombin
Ligand
BDBM50279771
Substrate
n/a
Meas. Tech.
ChEMBL_208499 (CHEMBL811974)
pH
7.5±n/a
Ki
750±n/a nM
Comments
extracted
Citation
 Regan, JMcGarry, DBruno, JGreen, DNewman, JHsu, CYKline, JBarton, JTravis, JChoi, YMVolz, FPauls, HHarrison, RZilberstein, ABen-Sasson, SAChang, M Anionic- and lipophilic-mediated surface binding inhibitors of human leukocyte elastase. J Med Chem 40:3408-22 (1997) [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:
BDBM50279771
Synonyms:
CHEMBL217744 | [4-Benzyloxy-5-{5-benzyloxy-4-[5-benzyloxy-2-carboxymethoxy-4-(2-carboxymethoxy-5-hydroxy-benzyl)-benzyl]-2-carboxymethoxy-benzyl}-2-(2-benzyloxy-5-carboxymethoxy-4-hydroxymethyl-benzyl)-phenoxy]-acetic acid
Type:
Small organic molecule
Emp. Form.:
C73H66O21
Mol. Mass.:
1279.2925
SMILES:
OCc1cc(OCc2ccccc2)c(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(OCc5ccccc5)c(Cc5cc(O)ccc5OCC(O)=O)cc4OCC(O)=O)cc3OCC(O)=O)cc2OCC(O)=O)cc1OCC(O)=O
Structure:
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