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Target
Prothrombin
Ligand
BDBM14348
Substrate
BDBM12679
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants
Ki
230±n/a nM
Citation
 Katz, BA; Elrod, K; Verner, E; Mackman, RL; Luong, C; Shrader, WD; Sendzik, M; Spencer, JR; Sprengeler, PA; Kolesnikov, A; Tai, VW; Hui, HC; Breitenbucher, JG; Allen, D; Janc, JW Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors. J Mol Biol 329:93-120 (2003) [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:
BDBM14348
Synonyms:
2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-chloro-4-methylbenzen-1-olate | CRA-9462
Type:
Small organic molecule
Emp. Form.:
C16H14ClN3O
Mol. Mass.:
299.755
SMILES:
Cc1cc(Cl)c([O-])c(c1)-c1cc2cc(ccc2[nH]1)C(N)=[NH2+]
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12679
Synonyms:
BDBM13790 | BDBM14298 | Chromogenic Substrate
Type:
Small organic molecule
Emp. Form.:
C26H34N6O7S
Mol. Mass.:
574.649
SMILES:
Cc1ccc(cc1)S(=O)(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: