Reaction Details Report a problem with these data
Target
Furin
Ligand
BDBM50270219
Substrate
n/a
Meas. Tech.
ChEMBL_508163 (CHEMBL1008221)
Ki
88±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:
BDBM50270219
Synonyms:
CHEMBL510847 | GGGGGGTPQRARRRKKRW
Type:
Small organic molecule
Emp. Form.:
C82H141N37O21
Mol. Mass.:
1981.2322
SMILES:
C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)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:59.60,39.39,97.97,1.1,115.115,75.75,wD:3.3,35.36,86.86,106.106,64.64,126.126,48.48,(10.74,-45.98,;10.37,-44.48,;8.87,-44.05,;11.49,-43.42,;11.1,-41.92,;9.64,-41.4,;9.36,-39.88,;8.47,-42.4,;7.02,-41.89,;5.85,-42.88,;6.13,-44.4,;4.39,-42.37,;3.22,-43.37,;1.77,-42.87,;1.49,-41.35,;.6,-43.87,;-.85,-43.36,;-2,-44.38,;-1.74,-45.89,;-3.46,-43.86,;-4.65,-44.83,;-6.11,-44.33,;-6.38,-42.83,;-7.28,-45.34,;-8.72,-44.81,;-9.87,-45.83,;-9.59,-47.34,;-11.33,-45.31,;-12.51,-46.31,;12.96,-43.85,;14.07,-42.78,;13.25,-45.37,;12.2,-46.49,;12.95,-47.84,;14.46,-47.54,;14.65,-46.02,;16,-45.28,;16.03,-43.73,;17.31,-46.09,;18.66,-45.36,;18.69,-43.82,;20.04,-43.07,;20.07,-41.53,;18.74,-40.73,;21.42,-40.79,;19.98,-46.15,;19.95,-47.69,;21.32,-45.4,;22.64,-46.19,;22.62,-47.73,;23.95,-48.52,;23.91,-50.06,;25.23,-50.86,;25.19,-52.4,;23.82,-53.14,;26.49,-53.19,;24,-45.44,;24.04,-43.9,;25.31,-46.25,;26.66,-45.51,;26.7,-43.97,;27.98,-46.3,;27.95,-47.84,;29.33,-45.55,;30.66,-46.33,;30.63,-47.87,;31.94,-48.67,;31.91,-50.21,;33.22,-51.03,;33.23,-52.57,;31.84,-53.31,;34.5,-53.37,;32.01,-45.59,;32.03,-44.05,;33.32,-46.39,;34.67,-45.65,;34.7,-44.11,;36.05,-43.37,;36.08,-41.83,;37.42,-41.07,;37.48,-39.54,;36.13,-38.74,;38.8,-38.79,;35.99,-46.45,;35.96,-47.99,;37.33,-45.69,;38.66,-46.47,;38.63,-48.01,;39.95,-48.81,;39.92,-50.35,;41.23,-51.15,;41.21,-52.69,;39.82,-53.43,;42.49,-53.49,;40.01,-45.73,;40.04,-44.19,;41.32,-46.54,;42.67,-45.81,;42.71,-44.27,;44.06,-43.52,;44.09,-41.98,;45.44,-41.24,;45.44,-39.7,;43.99,-46.6,;43.96,-48.14,;45.34,-45.85,;46.66,-46.64,;46.63,-48.18,;47.95,-48.97,;47.92,-50.51,;49.23,-51.31,;49.17,-52.85,;48.01,-45.89,;48.04,-44.35,;49.32,-46.7,;50.68,-45.97,;50.71,-44.43,;52.06,-43.69,;52.09,-42.15,;53.43,-41.39,;53.49,-39.85,;52.14,-39.06,;54.81,-39.1,;51.99,-46.77,;51.97,-48.31,;53.33,-46.01,;54.66,-46.8,;54.62,-48.34,;55.9,-49.21,;57.34,-48.69,;58.29,-49.91,;57.42,-51.18,;57.79,-52.67,;56.68,-53.74,;55.2,-53.32,;54.83,-51.82,;55.94,-50.75,;56,-46.06,;57.3,-46.84,;56.03,-44.52,)|
Structure:
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