BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetFurin
LigandBDBM50614158
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2295921
IC50 3.1±n/a nM
Citation Gitlin-Domagalska, AD?bowski, DMaciejewska, ASamsonov, SMaszota-Zieleniak, MPtaszy?ska, N??gowska, ARolka, K Cyclic Peptidic Furin Inhibitors Developed by Combinatorial Chemistry. ACS Med Chem Lett14:458-465 (2023) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Furin
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:
MELRPWLLWVVAATGTLVLLAADAQGQKVFTNTWAVRIPGGPAVANSVARKHGFLNLGQI
FGDYYHFWHRGVTKRSLSPHRPRHSRLQREPQVQWLEQQVAKRRTKRDVYQEPTDPKFPQ
QWYLSGVTQRDLNVKAAWAQGYTGHGIVVSILDDGIEKNHPDLAGNYDPGASFDVNDQDP
DPQPRYTQMNDNRHGTRCAGEVAAVANNGVCGVGVAYNARIGGVRMLDGEVTDAVEARSL
GLNPNHIHIYSASWGPEDDGKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREH
DSCNCDGYTNSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLRQKC
TESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLNANDWATNGVGRKV
SHSYGYGLLDAGAMVALAQNWTTVAPQRKCIIDILTEPKDIGKRLEVRKTVTACLGEPNH
ITRLEHAQARLTLSYNRRGDLAIHLVSPMGTRSTLLAARPHDYSADGFNDWAFMTTHSWD
EDPSGEWVLEIENTSEANNYGTLTKFTLVLYGTAPEGLPVPPESSGCKTLTSSQACVVCE
EGFSLHQKSCVQHCPPGFAPQVLDTHYSTENDVETIRASVCAPCHASCATCQGPALTDCL
SCPSHASLDPVEQTCSRQSQSSRESPPQQQPPRLPPEVEAGQRLRAGLLPSHLPEVVAGL
SCAFIVLVFVTVFLVLQLRSGFSFRGVKVYTMDRGLISYKGLPPEAWQEECPSDSEEDEG
RGERTAFIKDQSAL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50614158
n/a
NameBDBM50614158
Synonyms:CHEMBL5276332
TypeSmall organic molecule
Emp. Form.C70H121N25O14S2
Mol. Mass.1600.999
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: