Reaction Details Report a problem with these data
Target
Furin
Ligand
BDBM50269904
Substrate
n/a
Meas. Tech.
ChEMBL_508163 (CHEMBL1008221)
Ki
59±n/a nM
Citation
 Shiryaev, SA; Remacle, AG; Ratnikov, BI; Nelson, NA; Savinov, AY; Wei, G; Bottini, M; Rega, MF; Parent, A; Desjardins, R; Fugere, M; Day, R; Sabet, M; Pellecchia, M; Liddington, RC; Smith, JW; Mustelin, T; Guiney, DG; Lebl, M; Strongin, AY Targeting host cell furin proprotein convertases as a therapeutic strategy against bacterial toxins and viral pathogens. J Biol Chem 282:20847-53 (2007) [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:
BDBM50269904
Synonyms:
CHEMBL527041 | TPRARRRKKRW
Type:
Small organic molecule
Emp. Form.:
C65H116N30O12
Mol. Mass.:
1509.8103
SMILES:
C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:1.1,15.15,31.31,53.53,73.73,93.93,wD:3.3,11.12,26.27,42.42,64.64,82.82,(-6,-47.73,;-6.29,-46.22,;-7.75,-45.72,;-5.14,-45.22,;-5.43,-43.7,;-3.68,-45.71,;-2.52,-44.7,;-3.48,-47.24,;-4.6,-48.49,;-3.78,-49.94,;-2.13,-49.61,;-2.22,-48.06,;-.88,-47.29,;-.88,-45.75,;.45,-48.06,;1.78,-47.29,;1.78,-45.74,;3.11,-44.98,;3.11,-43.43,;4.44,-42.67,;4.44,-41.12,;3.1,-40.35,;5.76,-40.36,;3.11,-48.05,;3.11,-49.59,;4.45,-47.28,;5.77,-48.05,;5.77,-49.58,;7.11,-47.28,;7.11,-45.73,;8.44,-48.04,;9.77,-47.27,;9.77,-45.74,;11.1,-44.97,;11.1,-43.43,;12.44,-42.66,;12.44,-41.11,;11.1,-40.34,;13.76,-40.35,;11.1,-48.05,;11.1,-49.58,;12.44,-47.28,;13.77,-48.04,;13.77,-49.58,;15.1,-50.35,;15.1,-51.88,;16.44,-52.65,;16.44,-54.19,;15.11,-54.96,;17.78,-54.96,;15.1,-47.27,;15.1,-45.73,;16.44,-48.04,;17.77,-47.26,;17.77,-45.73,;19.1,-44.95,;19.1,-43.42,;20.43,-42.65,;20.43,-41.11,;19.09,-40.33,;21.77,-40.34,;19.1,-48.03,;19.1,-49.57,;20.44,-47.27,;21.77,-48.03,;21.77,-49.57,;23.1,-50.34,;23.1,-51.87,;24.44,-52.65,;24.44,-54.18,;23.1,-47.26,;23.1,-45.72,;24.43,-48.03,;25.77,-47.26,;25.77,-45.71,;27.1,-44.95,;27.1,-43.4,;28.43,-42.63,;28.43,-41.09,;27.1,-48.02,;27.1,-49.56,;28.43,-47.25,;29.77,-48.02,;29.77,-49.56,;31.1,-50.32,;31.1,-51.86,;32.43,-52.64,;32.43,-54.17,;31.11,-54.94,;33.77,-54.94,;31.1,-47.25,;31.1,-45.71,;32.43,-48.02,;33.77,-47.25,;33.77,-45.7,;35.1,-44.94,;36.5,-45.55,;37.53,-44.41,;36.75,-43.08,;37.23,-41.62,;36.2,-40.47,;34.69,-40.8,;34.22,-42.26,;35.26,-43.4,;35.1,-48.01,;36.43,-47.24,;35.1,-49.55,)|
Structure:
Search PDB for entries with ligand similarity: