Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50131462
Substrate
n/a
Meas. Tech.
ChEBML_208517
Ki
2.5±n/a nM
Citation
 Nantermet, PG; Barrow, JC; Newton, CL; Pellicore, JM; Young, M; Lewis, SD; Lucas, BJ; Krueger, JA; McMasters, DR; Yan, Y; Kuo, LC; Vacca, JP; Selnick, HG Design and synthesis of potent and selective macrocyclic thrombin inhibitors. Bioorg Med Chem Lett 13:2781-4 (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:
BDBM50131462
Synonyms:
(S)-20-Benzyl-25-chloro-12-oxa-1,4,18,21,23-pentaaza-tricyclo[20.3.1.0*6,11*]hexacosa-6(11),7,9,22,24-pentaene-3,26-dione | CHEMBL329266
Type:
Small organic molecule
Emp. Form.:
C27H32ClN5O3
Mol. Mass.:
510.028
SMILES:
Clc1cnc2N[C@@H](Cc3ccccc3)CNCCCCCOc3ccccc3CNC(=O)Cn1c2=O
Structure:
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