Reaction Details Report a problem with these data
Target
Sodium-dependent serotonin transporter
Ligand
BDBM50102016
Substrate
n/a
Meas. Tech.
ChEBML_201982
Ki
2±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]  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:
BDBM50102016
Synonyms:
3-(4-Phenethylamino-cyclohexyl)-1H-indole-5-carbonitrile | CHEMBL54364
Type:
Small organic molecule
Emp. Form.:
C23H25N3
Mol. Mass.:
343.4647
SMILES:
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCc3ccccc3)c2c1 |wU:9.8,wD:12.15,(-8.5,-4.57,;-7.17,-5.34,;-5.84,-6.13,;-5.85,-7.68,;-4.51,-8.45,;-3.18,-7.68,;-1.71,-8.17,;-.8,-6.95,;-1.68,-5.69,;-1.19,-4.22,;-2.21,-3.07,;-1.73,-1.62,;-.21,-1.29,;.8,-2.46,;.33,-3.91,;.26,.16,;1.76,.48,;2.81,-.69,;4.31,-.36,;4.78,1.09,;6.29,1.42,;7.33,.25,;6.84,-1.2,;5.33,-1.53,;-3.15,-6.16,;-4.5,-5.36,)|
Structure:
Search PDB for entries with ligand similarity: