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Target
Prothrombin
Ligand
BDBM50289595
Substrate
n/a
Meas. Tech.
ChEBML_208719
Ki
5.5±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 
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:
BDBM50289595
Synonyms:
2-Amino-biphenyl-4-carboxylic acid [(R)-4-guanidino-1-((2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-butyl]-amide | CHEMBL289147
Type:
Small organic molecule
Emp. Form.:
C28H38BN5O3
Mol. Mass.:
503.444
SMILES:
CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)[C@H](CCCNC(N)=N)NC(=O)c1ccc(c(N)c1)-c1ccccc1 |THB:8:6:1:4|
Structure:
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