Ki Summary

Reaction Details

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Target

Furin

Ligand

BDBM50270218

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_508163 (CHEMBL1008221)

67±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 Chem282:20847-53 (2007) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Furin

Name:

Furin

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

86676.01

Organism:

Homo sapiens (Human)

Description:

P09958

Residue:

794

Sequence:

MELRPWLLWVVAATGTLVLLAADAQGQKVFTNTWAVRIPGGPAVANSVARKHGFLNLGQI
FGDYYHFWHRGVTKRSLSPHRPRHSRLQREPQVQWLEQQVAKRRTKRDVYQEPTDPKFPQ
QWYLSGVTQRDLNVKAAWAQGYTGHGIVVSILDDGIEKNHPDLAGNYDPGASFDVNDQDP
DPQPRYTQMNDNRHGTRCAGEVAAVANNGVCGVGVAYNARIGGVRMLDGEVTDAVEARSL
GLNPNHIHIYSASWGPEDDGKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREH
DSCNCDGYTNSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLRQKC
TESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLNANDWATNGVGRKV
SHSYGYGLLDAGAMVALAQNWTTVAPQRKCIIDILTEPKDIGKRLEVRKTVTACLGEPNH
ITRLEHAQARLTLSYNRRGDLAIHLVSPMGTRSTLLAARPHDYSADGFNDWAFMTTHSWD
EDPSGEWVLEIENTSEANNYGTLTKFTLVLYGTAPEGLPVPPESSGCKTLTSSQACVVCE
EGFSLHQKSCVQHCPPGFAPQVLDTHYSTENDVETIRASVCAPCHASCATCQGPALTDCL
SCPSHASLDPVEQTCSRQSQSSRESPPQQQPPRLPPEVEAGQRLRAGLLPSHLPEVVAGL
SCAFIVLVFVTVFLVLQLRSGFSFRGVKVYTMDRGLISYKGLPPEAWQEECPSDSEEDEG
RGERTAFIKDQSAL

BDBM50270218

n/a

Name

BDBM50270218

Synonyms:

CHEMBL504445 | GGGTPQRARRRKKRW

Type

Small organic molecule

Emp. Form.

C76H132N34O18

Mol. Mass.

1810.0783

SMILES

C[C@@H](O)[C@H](NC(=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:47.48,27.27,63.63,85.85,1.1,103.103,wD:3.3,23.24,36.36,74.74,94.94,52.52,114.114,(3.9,-25.94,;3.5,-24.46,;2.03,-24.06,;4.6,-23.37,;4.18,-21.87,;2.84,-21.1,;2.84,-19.56,;1.51,-21.88,;.18,-21.11,;-1.16,-21.87,;-1.16,-23.41,;-2.49,-21.09,;-3.82,-21.86,;-5.15,-21.08,;-5.15,-19.54,;-6.48,-21.86,;-7.82,-21.08,;6.08,-23.77,;7.17,-22.68,;6.4,-25.27,;5.37,-26.42,;6.14,-27.75,;7.65,-27.43,;7.81,-25.9,;9.14,-25.13,;9.14,-23.58,;10.48,-25.89,;11.81,-25.11,;11.81,-23.57,;13.15,-22.8,;13.15,-21.26,;11.82,-20.49,;14.48,-20.49,;13.15,-25.88,;13.15,-27.42,;14.49,-25.12,;15.81,-25.9,;15.81,-27.44,;17.15,-28.21,;17.15,-29.75,;18.49,-30.52,;18.47,-32.06,;17.15,-32.83,;19.84,-32.83,;17.15,-25.13,;17.15,-23.58,;18.48,-25.9,;19.81,-25.12,;19.81,-23.57,;21.14,-25.89,;21.14,-27.43,;22.48,-25.13,;23.81,-25.91,;23.81,-27.45,;25.15,-28.22,;25.15,-29.76,;26.48,-30.53,;26.48,-32.07,;25.14,-32.84,;27.82,-32.84,;25.15,-25.14,;25.15,-23.59,;26.49,-25.89,;27.82,-25.11,;27.82,-23.56,;29.15,-22.79,;29.15,-21.25,;30.49,-20.49,;30.48,-18.95,;29.15,-18.18,;31.84,-18.18,;29.15,-25.88,;29.15,-27.42,;30.49,-25.11,;31.82,-25.88,;31.82,-27.42,;33.16,-28.19,;33.16,-29.73,;34.5,-30.49,;34.48,-32.03,;33.16,-32.81,;35.82,-32.81,;33.16,-25.11,;33.16,-23.56,;34.49,-25.88,;35.82,-25.11,;35.82,-23.56,;37.15,-22.79,;37.15,-21.25,;38.5,-20.48,;38.5,-18.95,;37.15,-25.88,;37.15,-27.42,;38.49,-25.12,;39.82,-25.89,;39.82,-27.43,;41.15,-28.2,;41.15,-29.74,;42.49,-30.51,;42.5,-32.05,;41.15,-25.12,;41.15,-23.58,;42.49,-25.89,;43.81,-25.11,;43.81,-23.56,;45.15,-22.79,;45.15,-21.25,;46.49,-20.48,;46.48,-18.94,;45.16,-18.18,;47.83,-18.18,;45.15,-25.88,;45.15,-27.42,;46.49,-25.12,;47.82,-25.88,;47.82,-27.42,;49.12,-28.25,;50.55,-27.71,;51.52,-28.91,;50.68,-30.2,;51.08,-31.69,;49.99,-32.78,;48.5,-32.38,;48.1,-30.89,;49.19,-29.8,;49.16,-25.11,;50.49,-25.88,;49.16,-23.56,)|

Structure