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Target
Prothrombin
Ligand
BDBM13874
Substrate
BDBM13573
Meas. Tech.
Thrombin Inhibition Assay
Ki
1710±n/a nM
Citation
 Matter, H; Defossa, E; Heinelt, U; Blohm, PM; Schneider, D; Muller, A; Herok, S; Schreuder, H; Liesum, A; Brachvogel, V; Lonze, P; Walser, A; Al-Obeidi, F; Wildgoose, P Design and quantitative structure-activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa. J Med Chem 45:2749-69 (2002) [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:
BDBM13874
Synonyms:
1-[(3-carbamimidoylphenyl)methyl]-N-{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}-4-hydroxy-1H-indole-2-carboxamide | 3-amidinobenzylindole carboxamide 59
Type:
Small organic molecule
Emp. Form.:
C25H20F4N4O2
Mol. Mass.:
484.4455
SMILES:
NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(F)cc(c2)C(F)(F)F)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM13573
Synonyms:
(2S)-5-carbamimidamido-N-(4-nitrophenyl)-2-{[(2S)-1-{[(2S)-5-oxopyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}pentanamide hydrochloride | Chromogenic Substrate S-2366 | Glu-Pro-Arg-pNA | Hepsin Chromogenic Substrate | L-Pyroglutamyl-L-prolyl-L-arginine-p-Nitroaniline | L-Pyroglutamyl-L-prolyl-L-argininep-Nitroaniline | S-2366
Type:
Small organic molecule
Emp. Form.:
C22H30N8O6
Mol. Mass.:
502.5236
SMILES:
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O |r|
Structure:
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