Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50070597
Substrate
n/a
Meas. Tech.
ChEBML_208331
Ki
4.6±n/a nM
Citation
 Lu, T; Soll, RM; Illig, CR; Bone, R; Murphy, L; Spurlino, J; Salemme, FR; Tomczuk, BE Structure-activity and crystallographic analysis of a new class of non-amide-based thrombin inhibitor. Bioorg Med Chem Lett 10:79-82 (2000) [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:
BDBM50070597
Synonyms:
2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-piperidin-4-ylmethoxy)-5-methyl-phenyl ester | CHEMBL41876
Type:
Small organic molecule
Emp. Form.:
C20H24ClN3O4S
Mol. Mass.:
437.94
SMILES:
Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Structure:
Search PDB for entries with ligand similarity: