Reaction Details Report a problem with these data
Target
Furin
Ligand
BDBM50270240
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:
BDBM50270240
Synonyms:
CHEMBL506239 | TPRARRRKKRW
Type:
Small organic molecule
Emp. Form.:
C65H115N29O13
Mol. Mass.:
1510.7951
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(O)=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,(-8.66,-10.38,;-8.95,-8.88,;-10.41,-8.37,;-7.79,-7.86,;-8.09,-6.35,;-6.34,-8.37,;-5.18,-7.35,;-6.14,-9.89,;-7.26,-11.14,;-6.44,-12.59,;-4.79,-12.26,;-4.88,-10.71,;-3.55,-9.94,;-3.55,-8.4,;-2.21,-10.71,;-.88,-9.94,;-.88,-8.39,;.45,-7.63,;.45,-6.08,;1.77,-5.32,;1.77,-3.77,;.44,-3,;3.11,-3.01,;.45,-10.7,;.45,-12.24,;1.78,-9.93,;3.12,-10.7,;3.12,-12.23,;4.45,-9.93,;4.45,-8.38,;5.77,-10.69,;7.11,-9.92,;7.11,-8.39,;8.44,-7.62,;8.44,-6.08,;9.78,-5.31,;9.78,-3.76,;8.44,-2.99,;11.1,-3,;8.44,-10.7,;8.44,-12.23,;9.78,-9.92,;11.1,-10.69,;11.1,-12.22,;12.44,-12.99,;12.44,-14.53,;13.78,-15.3,;13.78,-16.84,;12.45,-17.61,;15.11,-17.6,;12.44,-9.92,;12.44,-8.37,;13.78,-10.68,;15.1,-9.91,;15.1,-8.38,;16.44,-7.6,;16.44,-6.07,;17.76,-5.3,;17.76,-3.76,;16.43,-2.98,;19.1,-2.99,;16.44,-10.68,;16.44,-12.22,;17.77,-9.92,;19.1,-10.68,;19.1,-12.22,;20.44,-12.99,;20.44,-14.53,;21.77,-15.3,;21.77,-16.83,;20.44,-9.91,;20.44,-8.37,;21.76,-10.68,;23.1,-9.91,;23.1,-8.37,;24.43,-7.6,;24.43,-6.06,;25.77,-5.29,;25.77,-3.75,;24.43,-10.68,;24.43,-12.21,;25.77,-9.91,;27.1,-10.67,;27.1,-12.21,;28.43,-12.98,;28.43,-14.52,;29.77,-15.29,;29.77,-16.82,;28.43,-17.59,;31.1,-17.59,;28.43,-9.9,;28.43,-8.36,;29.76,-10.68,;31.1,-9.9,;31.1,-8.36,;32.43,-7.59,;33.82,-8.2,;34.85,-7.07,;34.08,-5.73,;34.56,-4.27,;33.53,-3.13,;32.03,-3.45,;31.55,-4.92,;32.59,-6.05,;32.43,-10.67,;33.76,-9.9,;32.43,-12.2,)|
Structure:
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