Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM23905
Substrate
BDBM23924
Meas. Tech.
Determination of Inhibition Constants
Ki
300±n/a nM
Citation
 Steinmetzer, T; Schweinitz, A; Stürzebecher, A; Dönnecke, D; Uhland, K; Schuster, O; Steinmetzer, P; Müller, F; Friedrich, R; Than, ME; Bode, W; Stürzebecher, J Secondary amides of sulfonylated 3-amidinophenylalanine. New potent and selective inhibitors of matriptase. J Med Chem 49:4116-26 (2006) [PubMed]  Article 
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin | THRB_BOVIN | Thrombin | Thrombin heavy chain | Thrombin light chain
Type:
Enzyme
Mol. Mass.:
70502.73
Organism:
Bos taurus (Bovine)
Description:
P00735
Residue:
625
Sequence:
MARVRGPRLPGCLALAALFSLVHSQHVFLAHQQASSLLQRARRANKGFLEEVRKGNLERECLEEPCSREEAFEALESLSATDAFWAKYTACESARNPREKLNECLEGNCAEGVGMNYRGNVSVTRSGIECQLWRSRYPHKPEINSTTHPGADLRENFCRNPDGSITGPWCYTTSPTLRREECSVPVCGQDRVTVEVIPRSGGSTTSQSPLLETCVPDRGREYRGRLAVTTSGSRCLAWSSEQAKALSKDQDFNPAVPLAENFCRNPDGDEEGAWCYVADQPGDFEYCDLNYCEEPVDGDLGDRLGEDPDPDAAIEGRTSEDHFQPFFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGRIVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS
  
Inhibitor
Name:
BDBM23905
Synonyms:
3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-yl]-3-oxo-2-{[2,4,6-tris(propan-2-yl)benzene]sulfonamido}propyl]benzene-1-carboximidamide | 3-amidinophenylalanine deriv., 48
Type:
Small organic molecule
Emp. Form.:
C33H51N7O3S
Mol. Mass.:
625.868
SMILES:
[#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-[#6]-1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM23924
Synonyms:
MeSO2-D-hexahydrotyrosyl-Gly-Arg-p-nitroanilide | MeSO2-D-hexahydrotyrosyl-Gly-Arg-pNA
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: