Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50127494
Substrate
n/a
Meas. Tech.
ChEMBL_208505 (CHEMBL811978)
Ki
140000±n/a nM
Citation
 Sagi, K; Nakagawa, T; Yamanashi, M; Makino, S; Takahashi, M; Takayanagi, M; Takenaka, K; Suzuki, N; Oono, S; Kataoka, N; Ishikawa, K; Shima, S; Fukuda, Y; Kayahara, T; Takehana, S; Shima, Y; Tashiro, K; Yamamoto, H; Yoshimoto, R; Iwata, S; Tsuji, T; Sakurai, K; Shoji, 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:
BDBM50127494
Synonyms:
3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-4-carbonyl)-amino]-ethoxy}-phenyl)-2-oxo-propionic acid | CHEMBL55500
Type:
Small organic molecule
Emp. Form.:
C23H27N5O5
Mol. Mass.:
453.491
SMILES:
NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1
Structure:
Search PDB for entries with ligand similarity: