Reaction Details Report a problem with these data
Target
Sodium-dependent serotonin transporter
Ligand
BDBM50130170
Substrate
n/a
Meas. Tech.
ChEMBL_201993 (CHEMBL809438)
Ki
0.170±n/a nM
Citation
Takeuchi, K; Kohn, TJ; Honigschmidt, NA; Rocco, VP; Spinazze, PG; Koch, DJ; Atkinson, ST; Hertel, LW; Nelson, DL; Wainscott, DB; Ahmad, LJ; Shaw, J; Threlkeld, PG; Wong, DT Advances Toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT(1A) receptor antagonism/SSRI activities. Part 2. Bioorg Med Chem Lett 13:2393-7 (2003) [PubMed] Article
More Info.:
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:
BDBM50130170
Synonyms:
(S)-1-(1H-Indol-4-yloxy)-3-[(1R,3S,5S)-3-(4-methoxy-benzo[b]thiophen-2-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-propan-2-ol | (endo)-1-(1H-Indol-4-yloxy)-3-[3-(4-methoxy-benzo[b]thiophen-2-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-propan-2-ol | (exo)-1-(1H-Indol-4-yloxy)-3-[3-(4-methoxy-benzo[b]thiophen-2-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-propan-2-ol | CHEMBL421328
Type:
Small organic molecule
Emp. Form.:
C27H30N2O3S
Mol. Mass.:
462.604
SMILES:
COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]ccc12 |THB:19:18:11.17.12:14.15|