Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM23867
Substrate
BDBM23925
Meas. Tech.
Determination of Inhibition Constants
Ki
2900±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:
Coagulation factor X
Synonyms:
Coagulation factor X | F10 | FA10_BOVIN | Factor Xa (fXa)
Type:
PROTEIN
Mol. Mass.:
54498.45
Organism:
Bos taurus
Description:
ChEMBL_1364435
Residue:
492
Sequence:
MAGLLHLVLLSTALGGLLRPAGSVFLPRDQAHRVLQRARRANSFLEEVKQGNLERECLEEACSLEEAREVFEDAEQTDEFWSKYKDGDQCEGHPCLNQGHCKDGIGDYTCTCAEGFEGKNCEFSTREICSLDNGGCDQFCREERSEVRCSCAHGYVLGDDSKSCVSTERFPCGKFTQGRSRRWAIHTSEDALDASELEHYDPADLSPTESSLDLLGLNRTEPSAGEDGSQVVRIVGGRDCAEGECPWQALLVNEENEGFCGGTILNEFYVLTAAHCLHQAKRFTVRVGDRNTEQEEGNEMAHEVEMTVKHSRFVKETYDFDIAVLRLKTPIRFRRNVAPACLPEKDWAEATLMTQKTGIVSGFGRTHEKGRLSSTLKMLEVPYVDRSTCKLSSSFTITPNMFCAGYDTQPEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKFGVYTKVSNFLKWIDKIMKARAGAAGSRGHSEAPATWTVPPPLPL
  
Inhibitor
Name:
BDBM23867
Synonyms:
3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin-1-yl]-3-oxo-2-{[2,4,6-tris(propan-2-yl)benzene]sulfonamido}propyl]benzene-1-carboximidamide | 3-amidinophenylalanine deriv., 2S
Type:
Small organic molecule
Emp. Form.:
C33H50N8O4S
Mol. Mass.:
654.866
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]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM23925
Synonyms:
MeSO2-D-Nle-Gly-Arg-p-nitroanilide | MeSO2-D-Nle-Gly-Arg-pNA
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: