Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50288414
Substrate
n/a
Meas. Tech.
ChEBML_208357
Ki
0.240000±n/a nM
Citation
Galemmo, RA; Fevig, JM; Carini, DJ; Cacciola, J; Wells, BL; Hillyer, GL; Jr., JB; Rossi, KA; Stouten, PF; Alexander, RS; Hilmer, R; Bostrom, L; Abelman, MM; Lee, SL; Weber, PC; Kettner, CA; Knabb, RM; Wexler, RR (N-acyl-N-alkyl)glycyl borolysine analogs: A new class of potent thrombin inhibitors Bioorg Med Chem Lett 6:2913-2918 (1996) Article
More Info.:
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:
BDBM50288414
Synonyms:
1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid (5-amino-1-dihydroxyboranyl-pentyl)-amide | AC-(D)PHE-PRO-BOROLYS-OH | CHEMBL100109
Type:
Small organic molecule
Emp. Form.:
C21H33BN4O5
Mol. Mass.:
432.322
SMILES:
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O