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Target
Sodium-dependent noradrenaline transporter
Ligand
BDBM50354567
Substrate
n/a
Meas. Tech.
ChEMBL_771726 (CHEMBL1838344)
Ki
6.8±n/a nM
Citation
 Osborne, R; Clarke, N; Glossop, P; Kenyon, A; Liu, H; Patel, S; Summerhill, S; Jones, 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 Chem 54:6998-7002 (2011) [PubMed]  Article 
Target
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:
MLLARMNPQVQPENNGADTGPEQPLRARKTAELLVVKERNGVQCLLAPRDGDAQPRETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALGQYNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFSSFTLNLPWTDCGHTWNSPNCTDPKLLNGSVLGNHTKYSKYKFTPAAEFYERGVLHLHESSGIHDIGLPQWQLLLCLMVVVIVLYFSLWKGVKTSGKVVWITATLPYFVLFVLLVHGVTLPGASNGINAYLHIDFYRLKEATVWIDAATQIFFSLGAGFGVLIAFASYNKFDNNCYRDALLTSSINCITSFVSGFAIFSILGYMAHEHKVNIEDVATEGAGLVFILYPEAISTLSGSTFWAVVFFVMLLALGLDSSMGGMEAVITGLADDFQVLKRHRKLFTFGVTFSTFLLALFCITKGGIYVLTLLDTFAAGTSILFAVLMEAIGVSWFYGVDRFSNDIQQMMGFRPGLYWRLCWKFVSPAFLLFVVVVSIINFKPLTYDDYIFPPWANWVGWGIALSSMVLVPIYVIYKFLSTQGSLWERLAYGITPENEHHLVAQRDIRQFQLQHWLAI
  
Inhibitor
Name:
BDBM50354567
Synonyms:
CHEMBL1836644
Type:
Small organic molecule
Emp. Form.:
C18H17F2N3O
Mol. Mass.:
329.3439
SMILES:
Fc1cccc(F)c1-n1nc(OC2CCNCC2)c2ccccc12 |(8.15,4.15,;9.69,4.17,;10.44,5.51,;11.99,5.53,;12.77,4.2,;12.01,2.86,;12.79,1.54,;10.47,2.86,;9.71,1.52,;10.62,.27,;9.72,-.98,;10.51,-2.3,;12.04,-2.28,;12.82,-3.6,;14.36,-3.59,;15.11,-2.25,;14.33,-.92,;12.78,-.94,;8.25,-.5,;6.92,-1.28,;5.58,-.51,;5.59,1.03,;6.91,1.8,;8.25,1.04,)|
Structure:
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