BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetFurin [108-574]
LigandBDBM621464
Substrate/Competitorn/a
Meas. Tech.Furin Enzyme Assay
IC50 0.063±n/a nM
Citation Axten, JMCheung, MDemartino, MPGuan, HAHu, YMiller, ABQin, DWu, CZhang, ZLin, X Furin inhibitors US Patent US11773078 Publication Date 10/3/2023
More Info.:Get all data from this article,  Assay Method
 
Furin [108-574]
Name:Furin [108-574]
Synonyms:Furin (108-574)
Type:Enzyme Catalytic Domain
Mol. Mass.:50656.86
Organism:Homo sapiens (Human)
Description:aa 108-574
Residue:467
Sequence:
DVYQEPTDPKFPQQWYLSGVTQRDLNVKAAWAQGYTGHGIVVSILDDGIEKNHPDLAGNY
DPGASFDVNDQDPDPQPRYTQMNDNRHGTRCAGEVAAVANNGVCGVGVAYNARIGGVRML
DGEVTDAVEARSLGLNPNHIHIYSASWGPEDDGKTVDGPARLAEEAFFRGVSQGRGGLGS
IFVWASGNGGREHDSCNCDGYTNSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQN
EKQIVTTDLRQKCTESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLN
ANDWATNGVGRKVSHSYGYGLLDAGAMVALAQNWTTVAPQRKCIIDILTEPKDIGKRLEV
RKTVTACLGEPNHITRLEHAQARLTLSYNRRGDLAIHLVSPMGTRSTLLAARPHDYSADG
FNDWAFMTTHSWDEDPSGEWVLEIENTSEANNYGTLTKFTLVLYGTA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM621464
n/a
NameBDBM621464
Synonyms:US11773078, Example 216
TypeSmall organic molecule
Emp. Form.C33H39Cl2N7O4
Mol. Mass.668.613
SMILESCC(=O)NCC1CCN(Cc2cc(Oc3cnc(nc3)N3CCN(CC3)C3CC(C3)C(O)=O)nc(c2)-c2cc(Cl)cc(Cl)c2)CC1 |(14.28,-2.08,;12.95,-1.31,;12.95,.23,;11.61,-2.08,;10.28,-1.31,;8.94,-2.08,;8.94,-3.62,;7.61,-4.39,;6.28,-3.62,;4.94,-4.39,;3.61,-3.62,;2.28,-4.39,;.94,-3.62,;-.39,-4.39,;-1.72,-3.62,;-3.06,-4.39,;-4.39,-3.62,;-4.39,-2.08,;-3.06,-1.31,;-1.72,-2.08,;-5.73,-1.31,;-7.06,-2.08,;-8.39,-1.31,;-8.39,.23,;-7.06,1,;-5.73,.23,;-9.73,1,;-10.12,2.48,;-11.61,2.08,;-11.21,.6,;-12.95,2.85,;-14.28,2.08,;-12.95,4.39,;.94,-2.08,;2.28,-1.31,;3.61,-2.08,;2.28,.23,;.94,1,;.94,2.54,;-.39,3.31,;2.28,3.31,;3.61,2.54,;4.94,3.31,;3.61,1,;6.28,-2.08,;7.61,-1.31,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: