Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50155617
Substrate
n/a
Meas. Tech.
ChEMBL_305313 (CHEMBL831704)
IC50
>10000±n/a nM
Citation
 Mederski, WW; Cezanne, B; van Amsterdam, C; Bühring, KU; Dorsch, D; Gleitz, J; März, J; Tsaklakidis, C Chlorothiophenecarboxamides as P1 surrogates of inhibitors of blood coagulation factor Xa. Bioorg Med Chem Lett 14:5817-22 (2004) [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:
BDBM50155617
Synonyms:
5-Chloro-thiophene-2-carboxylic acid {(R)-2-methoxy-1-[4-(3-oxo-morpholin-4-yl)-3-trifluoromethyl-phenylcarbamoyl]-ethyl}-amide | CHEMBL184956
Type:
Small organic molecule
Emp. Form.:
C20H19ClF3N3O5S
Mol. Mass.:
505.895
SMILES:
COC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: