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Target
Sodium-dependent noradrenaline transporter
Ligand
BDBM50062912
Substrate
n/a
Meas. Tech.
ChEMBL_1450412 (CHEMBL3379356)
Ki
340±n/a nM
Citation
 Liu, S; Zha, C; Nacro, K; Hu, M; Cui, W; Yang, YL; Bhatt, U; Sambandam, A; Isherwood, M; Yet, L; Herr, MT; Ebeltoft, S; Hassler, C; Fleming, L; Pechulis, AD; Payen-Fornicola, A; Holman, N; Milanowski, D; Cotterill, I; Mozhaev, V; Khmelnitsky, Y; Guzzo, PR; Sargent, BJ; Molino, BF; Olson, R; King, D; Lelas, S; Li, YW; Johnson, K; Molski, T; Orie, A; Ng, A; Haskell, R; Clarke, W; Bertekap, R; O'Connell, J; Lodge, N; Sinz, M; Adams, S; Zaczek, R; Macor, JE Design and synthesis of 4-heteroaryl 1,2,3,4-tetrahydroisoquinolines as triple reuptake inhibitors. ACS Med Chem Lett 5:760-5 (2014) [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:
BDBM50062912
Synonyms:
CHEMBL796 | Methylphenidate | alpha-phenyl-2-piperidineacetic acid methyl ester | methyl alpha-phenyl-alpha-(2-piperidyl)acetate | methyl alpha-phenyl-alpha-2-piperidinylacetate | methyl phenidylacetate | methyl phenyl(piperidin-2-yl)acetate | methylphenidan
Type:
Small organic molecule
Emp. Form.:
C14H19NO2
Mol. Mass.:
233.3062
SMILES:
COC(=O)C(C1CCCCN1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: