Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM23556
Substrate
BDBM12678
Meas. Tech.
IC50 Value Determination
Citation
 Robert, S; Bertolla, C; Masereel, B; Dogné, JM; Pochet, L Novel 3-carboxamide-coumarins as potent and selective FXIIa inhibitors. J Med Chem 51:3077-80 (2008) [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:
BDBM23556
Synonyms:
3-Carboxamide-coumarin deriv., 32 | N-(3-chlorophenyl)-6-methyl-2-oxo-2H-chromene-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C17H12ClNO3
Mol. Mass.:
313.735
SMILES:
Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(Cl)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12678
Synonyms:
(2S)-2-{[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]piperidin-2-yl]formamido}-5-carbamimidamido-N-(4-nitrophenyl)pentanamide | Chromogenic Substrate S-2238 | D-Phe-Pip-Arg-pNA | H-D-phenylalanyl-L-pipecolyl-L-arginine-p-nitroaniline dihydrochloride | N-(4-nitrophenyl)-N2-{[(2S)-1-D-phenylalanylpiperidin-2-yl]carbonyl}-L-argininamide
Type:
Small organic molecule
Emp. Form.:
C27H36N8O5
Mol. Mass.:
552.6253
SMILES:
N[C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
Structure:
Search PDB for entries with ligand similarity: