Reaction Details Report a problem with these data
Target
Furin
Ligand
BDBM50279611
Substrate
n/a
Meas. Tech.
ChEMBL_522272 (CHEMBL998935)
Ki
100000±n/a nM
Citation
 Worachartcheewan, A; Nantasenamat, C; Naenna, T; Isarankura-Na-Ayudhya, C; Prachayasittikul, V Modeling the activity of furin inhibitors using artificial neural network. Eur J Med Chem 44:1664-73 (2009) [PubMed]  Article 
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:
BDBM50279611
Synonyms:
CHEMBL487333 | N-[(1S,2S,4R,5R)-5-Guanidino-2,4-bis-(3-guanidino-pyridin-2-yloxy)-cyclohexyl]-guanidine
Type:
Small organic molecule
Emp. Form.:
C20H30N14O2
Mol. Mass.:
498.5448
SMILES:
[#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]1-[#8]-c1ncccc1\[#7]=[#6](\[#7])-[#7])-[#8]-c1ncccc1\[#7]=[#6](\[#7])-[#7] |r|
Structure:
Search PDB for entries with ligand similarity: