Reaction Details Report a problem with these data
Target
Furin
Ligand
BDBM50270067
Substrate
n/a
Meas. Tech.
ChEMBL_508163 (CHEMBL1008221)
Ki
34±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:
BDBM50270067
Synonyms:
CHEMBL503520 | TPQRARRRKKRW
Type:
Small organic molecule
Emp. Form.:
C70H123N31O15
Mol. Mass.:
1638.9243
SMILES:
C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=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(O)=O |r,wU:1.1,15.15,35.36,51.51,73.73,91.91,wD:3.3,11.12,24.24,40.40,62.62,82.82,102.102,(-7.97,-22.52,;-8.16,-20.99,;-9.59,-20.4,;-6.94,-20.06,;-7.13,-18.53,;-5.52,-20.65,;-4.3,-19.72,;-5.33,-22.18,;-6.46,-23.42,;-5.63,-24.89,;-3.98,-24.55,;-4.06,-23,;-2.73,-22.24,;-2.73,-20.7,;-1.4,-23,;-.07,-22.24,;-.07,-20.7,;1.27,-19.93,;1.27,-18.39,;-.06,-17.62,;2.6,-17.62,;1.26,-23.01,;1.26,-24.54,;2.59,-22.24,;3.93,-23,;3.93,-24.55,;5.26,-25.31,;5.26,-26.86,;6.59,-27.62,;6.59,-29.17,;5.25,-29.94,;7.92,-29.94,;5.26,-22.24,;5.26,-20.7,;6.59,-23.01,;7.93,-22.24,;7.93,-20.71,;9.26,-23.01,;9.26,-24.55,;10.59,-22.25,;11.93,-23.01,;11.93,-24.56,;13.26,-25.32,;13.26,-26.87,;14.59,-27.63,;14.59,-29.18,;13.25,-29.95,;15.92,-29.94,;13.26,-22.24,;13.26,-20.71,;14.59,-23.02,;15.92,-22.25,;15.92,-20.72,;17.26,-19.95,;17.26,-18.41,;18.59,-17.64,;18.59,-16.11,;17.27,-15.34,;19.93,-15.34,;17.26,-23.02,;17.26,-24.57,;18.59,-22.26,;19.92,-23.03,;19.92,-24.57,;21.25,-25.34,;21.25,-26.88,;22.58,-27.65,;22.58,-29.19,;21.25,-29.96,;23.91,-29.96,;21.25,-22.26,;21.25,-20.73,;22.59,-23.03,;23.92,-22.27,;23.92,-20.73,;25.26,-19.95,;25.26,-18.42,;26.59,-17.65,;26.59,-16.12,;25.26,-23.03,;25.26,-24.57,;26.58,-22.26,;27.92,-23.04,;27.92,-24.58,;29.25,-25.35,;29.25,-26.89,;30.57,-27.66,;30.57,-29.19,;29.25,-22.27,;29.25,-20.74,;30.58,-23.04,;31.91,-22.28,;31.91,-20.73,;33.25,-19.96,;33.25,-18.43,;34.58,-17.66,;34.58,-16.12,;33.26,-15.36,;35.92,-15.35,;33.25,-23.04,;33.25,-24.58,;34.57,-22.27,;35.91,-23.04,;35.91,-24.59,;37.24,-25.36,;38.65,-24.73,;39.68,-25.88,;38.9,-27.21,;39.38,-28.67,;38.34,-29.82,;36.84,-29.49,;36.37,-28.04,;37.4,-26.89,;37.24,-22.28,;38.57,-23.05,;37.24,-20.74,)|
Structure:
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