Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50288406
Substrate
n/a
Meas. Tech.
ChEBML_208719
Ki
0.040000±n/a nM
Citation
Quan, ML; Wityak, J; Dominguez, C; Duncia, JV; Kettner, CA; Ellis, CD; Liauw, AY; Park, JM; Santella, JB; Knabb, RM; Thoolen, MJ; Weber, PC; Wexler, RR Biaryl substituted alkylboronate esters as thrombin inhibitors Bioorg Med Chem Lett 7:1595-1600 (1997) 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:
BDBM50288406
Synonyms:
1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid (1-dihydroxyboranyl-4-guanidino-butyl)-amide | AC-(D)PHE-PRO-BOROARG-OH | CHEMBL290376
Type:
Small organic molecule
Emp. Form.:
C21H33BN6O5
Mol. Mass.:
460.335
SMILES:
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O