Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSodium-dependent noradrenaline transporter
LigandBDBM50354569
Substrate/Competitorn/a
Meas. Tech.ChEMBL_771726 (CHEMBL1838344)
Ki 2900±n/a nM
Citation Osborne, RClarke, NGlossop, PKenyon, ALiu, HPatel, SSummerhill, SJones, LH Efficient conversion of a nonselective norepinephrin reuptake inhibitor into a dual muscarinic antagonist-ß2-agonist for the treatment of chronic obstructive pulmonary disease. J Med Chem54:6998-7002 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Sodium-dependent noradrenaline transporter
Name:Sodium-dependent noradrenaline transporter
Synonyms:Monoamine transporter | NAT1 | NET | NET1 | Noradrenaline Transporter (NET) | Norepinephrine Transporter (NET) | Norepinephrine transporter protein (NET) | SC6A2_HUMAN | SLC6A2 | SLC6A5 | Sodium-dependent noradrenaline transporter (NET) | Solute carrier family 6 member 2
Type:Multi-pass membrane protein
Mol. Mass.:69337.72
Organism:Homo sapiens (Human)
Description:P23975
Residue:617
Sequence:
MLLARMNPQVQPENNGADTGPEQPLRARKTAELLVVKERNGVQCLLAPRDGDAQPRETWG
KKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALGQYN
REGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFSSFTLNLPWTDCGHTW
NSPNCTDPKLLNGSVLGNHTKYSKYKFTPAAEFYERGVLHLHESSGIHDIGLPQWQLLLC
LMVVVIVLYFSLWKGVKTSGKVVWITATLPYFVLFVLLVHGVTLPGASNGINAYLHIDFY
RLKEATVWIDAATQIFFSLGAGFGVLIAFASYNKFDNNCYRDALLTSSINCITSFVSGFA
IFSILGYMAHEHKVNIEDVATEGAGLVFILYPEAISTLSGSTFWAVVFFVMLLALGLDSS
MGGMEAVITGLADDFQVLKRHRKLFTFGVTFSTFLLALFCITKGGIYVLTLLDTFAAGTS
ILFAVLMEAIGVSWFYGVDRFSNDIQQMMGFRPGLYWRLCWKFVSPAFLLFVVVVSIINF
KPLTYDDYIFPPWANWVGWGIALSSMVLVPIYVIYKFLSTQGSLWERLAYGITPENEHHL
VAQRDIRQFQLQHWLAI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50354569
n/a
NameBDBM50354569
Synonyms:CHEMBL1836646
TypeSmall organic molecule
Emp. Form.C18H22FN3O2
Mol. Mass.331.3846
SMILESOc1cccc(F)c1-n1nc(OC2CCNCC2)c2CCCCc12 |(36.87,1.24,;36.09,2.57,;36.85,3.91,;36.07,5.24,;34.52,5.22,;33.77,3.88,;32.23,3.86,;34.56,2.56,;33.8,1.22,;34.71,-.02,;33.8,-1.27,;34.59,-2.59,;36.13,-2.57,;36.91,-3.9,;38.44,-3.88,;39.2,-2.54,;38.41,-1.22,;36.87,-1.23,;32.33,-.8,;31,-1.58,;29.67,-.81,;29.67,.74,;31,1.51,;32.33,.75,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: