Target
Prothrombin
Ligand
BDBM50127498
Substrate
n/a
Meas. Tech.
ChEMBL_208505 (CHEMBL811978)
Ki
38000±n/a nM
Citation
 Sagi, KNakagawa, TYamanashi, MMakino, STakahashi, MTakayanagi, MTakenaka, KSuzuki, NOono, SKataoka, NIshikawa, KShima, SFukuda, YKayahara, TTakehana, SShima, YTashiro, KYamamoto, HYoshimoto, RIwata, STsuji, TSakurai, KShoji, M Rational design, synthesis, and structure-activity relationships of novel factor Xa inhibitors: (2-substituted-4-amidinophenyl)pyruvic and -propionic acids. J Med Chem 46:1845-57 (2003) [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:
BDBM50127498
Synonyms:
3-{4-Carbamimidoyl-2-[2-(4-carbamimidoyl-benzoylamino)-ethoxy]-phenyl}-2-oxo-propionic acid | CHEMBL52932
Type:
Small organic molecule
Emp. Form.:
C20H21N5O5
Mol. Mass.:
411.4112
SMILES:
NC(=N)c1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N
Structure:
Search PDB for entries with ligand similarity: