Reaction Details Report a problem with these data
Target
Furin
Ligand
BDBM207839
Substrate
BDBM207843
Meas. Tech.
Enzymatic Assay
pH
7.5±0
Temperature
583.3±0 K
IC50
3.7±0.0 nM
Citation
 Strongin, A; Pellecchia, M; Barile, E Inhibitors of Furin and other pro-protein convertases US Patent  US9266828 Publication Date 2/23/2016 
Target
Name:
Furin
Synonyms:
FUR | FURIN | FURIN_HUMAN | Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA | PACE | PCSK3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
86676.01
Organism:
Homo sapiens (Human)
Description:
P09958
Residue:
794
Sequence:
MELRPWLLWVVAATGTLVLLAADAQGQKVFTNTWAVRIPGGPAVANSVARKHGFLNLGQIFGDYYHFWHRGVTKRSLSPHRPRHSRLQREPQVQWLEQQVAKRRTKRDVYQEPTDPKFPQQWYLSGVTQRDLNVKAAWAQGYTGHGIVVSILDDGIEKNHPDLAGNYDPGASFDVNDQDPDPQPRYTQMNDNRHGTRCAGEVAAVANNGVCGVGVAYNARIGGVRMLDGEVTDAVEARSLGLNPNHIHIYSASWGPEDDGKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREHDSCNCDGYTNSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLRQKCTESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLNANDWATNGVGRKVSHSYGYGLLDAGAMVALAQNWTTVAPQRKCIIDILTEPKDIGKRLEVRKTVTACLGEPNHITRLEHAQARLTLSYNRRGDLAIHLVSPMGTRSTLLAARPHDYSADGFNDWAFMTTHSWDEDPSGEWVLEIENTSEANNYGTLTKFTLVLYGTAPEGLPVPPESSGCKTLTSSQACVVCEEGFSLHQKSCVQHCPPGFAPQVLDTHYSTENDVETIRASVCAPCHASCATCQGPALTDCLSCPSHASLDPVEQTCSRQSQSSRESPPQQQPPRLPPEVEAGQRLRAGLLPSHLPEVVAGLSCAFIVLVFVTVFLVLQLRSGFSFRGVKVYTMDRGLISYKGLPPEAWQEECPSDSEEDEGRGERTAFIKDQSAL
  
Inhibitor
Name:
BDBM207839
Synonyms:
US9266828, B
Type:
Small organic molecule
Emp. Form.:
C31H45FN12O4
Mol. Mass.:
668.7654
SMILES:
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6](-[#7])=[#7])c(F)c1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM207843
Synonyms:
US9266828, Pyr-RTKR-AMC
Type:
Substrate
Emp. Form.:
C37H57N13O9
Mol. Mass.:
827.9302
SMILES:
[#6]-[#6@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccc2c(-[#6])cc(=O)oc2c1
Structure:
Search PDB for entries with ligand similarity: