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Target
Sodium-dependent serotonin transporter
Ligand
BDBM50102002
Substrate
n/a
Meas. Tech.
ChEBML_201982
Ki
12±n/a nM
Citation
 Meagher, KL; Mewshaw, RE; Evrard, DA; Zhou, P; Smith, DL; Scerni, R; Spangler, T; Abulhawa, S; Shi, X; Schechter, LE; Andree, TH Studies towards the next generation of antidepressants. Part 1: Indolylcyclohexylamines as potent serotonin reuptake inhibitors. Bioorg Med Chem Lett 11:1885-8 (2001) [PubMed]
Target
Name:
Sodium-dependent serotonin transporter
Synonyms:
5-HT Transporter | 5-HTT | 5HT transporter | 5HTT | Anandamid membrane transporter, AMT | Anandamide membrane transporter, AMT | Monoamine transporters; Norepinephrine & serotonin | SC6A4_RAT | Slc6a4 | Sodium-dependent serotonin transporter | Sodium-dependent serotonin transporter (SERT) | imipramine receptor
Type:
Multi-pass membrane protein
Mol. Mass.:
70168.43
Organism:
Rattus norvegicus (rat)
Description:
P31652
Residue:
630
Sequence:
METTPLNSQKVLSECKDREDCQENGVLQKGVPTTADRAEPSQISNGYSAVPSTSAGDEASHSIPAATTTLVAEIRQGERETWGKKMDFLLSVIGYAVDLGNIWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIIAWALYYLISSLTDRLPWTSCTNSWNTGNCTNYFAQDNITWTLHSTSPAEEFYLRHVLQIHQSKGLQDLGTISWQLTLCIVLIFTVIYFSIWKGVKTSGKVVWVTATFPYIVLSVLLVRGATLPGAWRGVVFYLKPNWQKLLETGVWVDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHIWAKRREWFVLIVVITCVLGSLLTLTSGGAYVVTLLEEYATGPAVLTVALIEAVAVSWFYGITQFCSDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPHWSIVLGYCIGMSSVICIPTYIIYRLISTPGTLKERIIKSITPETPTEIPCGDIRMNAV
  
Inhibitor
Name:
BDBM50102002
Synonyms:
3-[4-(7-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-cyclohexyl]-1H-indole-5-carbonitrile | CHEMBL292452
Type:
Small organic molecule
Emp. Form.:
C25H27N3O
Mol. Mass.:
385.5014
SMILES:
COc1ccc2CCN(Cc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:15.20,wD:12.13,(2.56,-10.89,;4.08,-10.89,;4.86,-9.57,;4.08,-8.22,;4.86,-6.89,;6.38,-6.89,;7.17,-5.57,;8.7,-5.57,;9.47,-6.92,;8.7,-8.24,;7.15,-8.24,;6.38,-9.57,;11,-6.92,;11.77,-8.24,;13.31,-8.24,;14.08,-6.92,;13.31,-5.59,;11.78,-5.57,;15.62,-6.92,;16.1,-8.38,;17.64,-8.38,;18.11,-6.92,;19.5,-6.29,;19.67,-4.75,;18.41,-3.85,;17.01,-4.47,;16.87,-6.01,;18.56,-2.31,;18.71,-.78,)|
Structure:
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