Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50289580
Substrate
n/a
Meas. Tech.
ChEBML_208719
Ki
8.3±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:
BDBM50289580
Synonyms:
CHEMBL290720 | {3'-[(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)-butylcarbamoyl]-biphenyl-3-yl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C33H46BN5O5
Mol. Mass.:
603.56
SMILES:
CC(C)(C)OC(=O)Nc1cccc(c1)-c1cccc(c1)C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:43:41:38:36|
Structure:
Search PDB for entries with ligand similarity: