Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeuraminidase
LigandBDBM4748
Substrate/CompetitorBDBM4702
Meas. Tech.Neuraminidase Inhibition Assay
pH6.5±n/a
Temperature310.15±n/a K
IC50 6400±n/a nM
Citation Chand, PBabu, YSBantia, SRowland, SDehghani, AKotian, PLHutchison, TLAli, SBrouillette, WEl-Kattan, YLin, TH Syntheses and neuraminidase inhibitory activity of multisubstituted cyclopentane amide derivatives. J Med Chem47:1919-29 (2004) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Neuraminidase
Name:Neuraminidase
Synonyms:Influenza A Virus Neuraminidase | NA | NRAM_I75A5 | Neuraminidase A
Type:Enzyme
Mol. Mass.:52468.81
Organism:Influenza A virus (N9)
Description:P03472
Residue:470
Sequence:
MNPNQKILCTSATALVIGTIAVLIGITNLGLNIGLHLKPSCNCSHSQPEATNASQTIINN
YYNDTNITQISNTNIQVEERAIRDFNNLTKGLCTINSWHIYGKDNAVRIGEDSDVLVTRE
PYVSCDPDECRFYALSQGTTIRGKHSNGTIHDRSQYRALISWPLSSPPTVYNSRVECIGW
SSTSCHDGKTRMSICISGPNNNASAVIWYNRRPVTEINTWARNILRTQESECVCHNGVCP
VVFTDGSATGPAETRIYYFKEGKILKWEPLAGTAKHIEECSCYGERAEITCTCRDNWQGS
NRPVIRIDPVAMTHTSQYICSPVLTDNPRPNDPTVGKCNDPYPGNNNNGVKGFSYLDGVN
TWLGRTISIASRSGYEMLKVPNALTDDKSKPTQGQTIVLNTDWSGYSGSFMDYWAEGECY
RACFYVELIRGRPKEDKVWWTSNSIVSMCSSTEFLGQWDWPDGAKIEYFL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM4748
BDBM4702
NameBDBM4748
Synonyms:(3S,4S)-3-carbamimidamido-4-[(S)-acetamido[(2-phenylethyl)carbamoyl]methyl]cyclopentane-1-carboxylic acid | Cyclopentane Amide deriv. 14k
TypeSmall organic molecule
Emp. Form.C19H27N5O4
Mol. Mass.389.4488
SMILES[#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r,w:7.14,4.3|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: