Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50127504
Substrate
n/a
Meas. Tech.
ChEMBL_208505 (CHEMBL811978)
Ki
110000±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:
BDBM50127504
Synonyms:
CHEMBL55770 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl]-4-(pyrrolidine-1-carbonyl)-benzamide
Type:
Small organic molecule
Emp. Form.:
C21H24N4O3
Mol. Mass.:
380.4403
SMILES:
NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1
Structure:
Search PDB for entries with ligand similarity: