Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50228753
Substrate
n/a
Meas. Tech.
ChEMBL_469216 (CHEMBL948917)
IC50
60000±n/a nM
Citation
 Maryanoff, BE; Costanzo, MJ Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality. Bioorg Med Chem 16:1562-95 (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:
BDBM50228753
Synonyms:
(S)-N*1*-[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-((R)-3-phenyl-2-phenylmethanesulfonylamino-propionylamino)-succinamide | (S)-N1-((S)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-yl)-2-((R)-3-phenyl-2-(phenylmethylsulfonamido)propanamido)succinamide | CHEMBL257867
Type:
Small organic molecule
Emp. Form.:
C29H36N8O6S2
Mol. Mass.:
656.776
SMILES:
[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1
Structure:
Search PDB for entries with ligand similarity: