Reaction Details Report a problem with these data
Target
Furin
Ligand
BDBM50279607
Substrate
n/a
Meas. Tech.
ChEMBL_522272 (CHEMBL998935)
Ki
423±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:
BDBM50279607
Synonyms:
1-[(1R,2R,4S,5S)-5-[(4-carbamimidamidonaphthalen-1-yl)amino]-2,4-bis[(4-carbamimidamidonaphthalen-1-yl)oxy]cyclohexyl]guanidine | CHEMBL451882
Type:
Small organic molecule
Emp. Form.:
C40H43N13O2
Mol. Mass.:
737.8553
SMILES:
[#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6]-[#6@H](-[#7]-c2ccc(\[#7]=[#6](\[#7])-[#7])c3ccccc23)-[#6@H](-[#6]-[#6@H]1-[#8]-c1ccc(\[#7]=[#6](\[#7])-[#7])c2ccccc12)-[#8]-c1ccc(\[#7]=[#6](\[#7])-[#7])c2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: