Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50093135
Substrate
n/a
Meas. Tech.
ChEBML_208334
Ki
>1000000±n/a nM
Citation
 Rice, KD; Gangloff, AR; Kuo, EY; Dener, JM; Wang, VR; Lum, R; Newcomb, WS; Havel, C; Putnam, D; Cregar, L; Wong, M; Warne, RL Dibasic inhibitors of human mast cell tryptase. Part 1: synthesis and optimization of a novel class of inhibitors. Bioorg Med Chem Lett 10:2357-60 (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:
BDBM50093135
Synonyms:
CHEMBL77911 | [(4-Guanidino-benzylcarbamoyl)-methyl]-carbamic acid 4-[(4-guanidino-benzylcarbamoyl)-methylcarbamoyloxymethyl]-benzyl ester
Type:
Small organic molecule
Emp. Form.:
C30H36N10O6
Mol. Mass.:
632.6702
SMILES:
[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#8]-[#6]-c2ccc(-[#6]-[#8]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-c3ccc(cc3)\[#7]=[#6](/[#7])-[#7])cc2)cc1
Structure:
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