Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50066623
Substrate
n/a
Meas. Tech.
ChEBML_208351
Ki
4500±n/a nM
Citation
 Buckman, BO; Mohan, R; Koovakkat, S; Liang, A; Trinh, L; Morrissey, MM Design, synthesis, and biological activity of novel purine and bicyclic pyrimidine factor Xa inhibitors. Bioorg Med Chem Lett 8:2235-40 (1999) [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:
BDBM50066623
Synonyms:
CHEMBL72318 | {[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-dimethylcarbamoyl-phenoxy)-3,5-difluoro-pyridin-4-yl]-methyl-amino}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C24H23F2N5O6
Mol. Mass.:
515.4661
SMILES:
CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N(C)CC(O)=O)c2F)c1
Structure:
Search PDB for entries with ligand similarity: