Reaction Details Report a problem with these data
Target
Sodium-dependent serotonin transporter
Ligand
BDBM50252178
Substrate
n/a
Meas. Tech.
ChEMBL_487557 (CHEMBL1013151)
Ki
13.8±n/a nM
Citation
 Zhou, D; Zhou, P; Evrard, DA; Meagher, K; Webb, M; Harrison, BL; Huryn, DM; Golembieski, J; Hornby, GA; Schechter, LE; Smith, DL; Andree, TH; Mewshaw, RE Studies toward the discovery of the next generation of antidepressants. Part 6: Dual 5-HT1A receptor and serotonin transporter affinity within a class of arylpiperazinyl-cyclohexyl indole derivatives. Bioorg Med Chem 16:6707-23 (2008) [PubMed]  Article 
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:
BDBM50252178
Synonyms:
5-{4-[(1,4-cis)-4-(5-Fluoro-1H-indol-3-yl)-cyclohexyl]-piperazin-1-yl}-quinoline | CHEMBL481108
Type:
Small organic molecule
Emp. Form.:
C27H29FN4
Mol. Mass.:
428.5444
SMILES:
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:8.7,11.14,(15.69,-14.56,;15.99,-16.07,;17.46,-16.56,;17.76,-18.07,;16.6,-19.08,;16.59,-20.62,;15.12,-21.08,;14.23,-19.83,;12.69,-19.81,;11.93,-18.47,;10.38,-18.45,;9.61,-19.78,;10.37,-21.12,;11.9,-21.14,;8.07,-19.77,;7.29,-21.1,;5.75,-21.09,;5,-19.76,;5.77,-18.43,;7.31,-18.43,;3.45,-19.75,;2.69,-21.08,;1.15,-21.08,;.38,-19.73,;1.16,-18.4,;.4,-17.08,;1.17,-15.75,;2.71,-15.76,;3.47,-17.09,;2.69,-18.41,;15.15,-18.59,;14.84,-17.08,)|
Structure:
Search PDB for entries with ligand similarity: