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Target
Sodium-dependent noradrenaline transporter
Ligand
BDBM50384903
Substrate
n/a
Meas. Tech.
ChEMBL_820352 (CHEMBL2037695)
IC50
160±n/a nM
Citation
 Mladenova, G; Annedi, SC; Ramnauth, J; Maddaford, SP; Rakhit, S; Andrews, JS; Zhang, D; Porreca, F First-in-class, dual-action, 3,5-disubstituted indole derivatives having human nitric oxide synthase (nNOS) and norepinephrine reuptake inhibitory (NERI) activity for the treatment of neuropathic pain. J Med Chem 55:3488-501 (2012) [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:
BDBM50384903
Synonyms:
CHEMBL2036267
Type:
Small organic molecule
Emp. Form.:
C21H26N4S
Mol. Mass.:
366.523
SMILES:
CN(C)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20,wD:6.9,3.2,(16.22,-3.48,;14.68,-3.47,;13.92,-2.13,;13.9,-4.8,;12.36,-4.79,;11.58,-6.12,;12.34,-7.45,;13.89,-7.46,;14.66,-6.14,;11.56,-8.78,;12.48,-10.03,;11.56,-11.28,;10.09,-10.81,;8.76,-11.58,;7.42,-10.81,;7.42,-9.26,;8.75,-8.49,;10.09,-9.25,;6.09,-8.49,;4.76,-9.26,;4.76,-10.8,;3.42,-8.49,;3.4,-6.95,;1.93,-6.5,;1.05,-7.76,;1.97,-8.99,)|
Structure:
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