Reaction Details Report a problem with these data
Target
Sodium-dependent serotonin transporter
Ligand
BDBM50124566
Substrate
n/a
Meas. Tech.
ChEMBL_390292 (CHEMBL869834)
IC50
590±n/a nM
Citation
 Jonathan Fray, M; Bish, G; Brown, AD; Fish, PV; Stobie, A; Wakenhut, F; Whitlock, GA N-(1,2-diphenylethyl)piperazines: a new class of dual serotonin/noradrenaline reuptake inhibitor. Bioorg Med Chem Lett 16:4345-8 (2006) [PubMed]  Article 
Target
Name:
Sodium-dependent serotonin transporter
Synonyms:
5-HT Transporter | 5HT transporter | 5HTT | HTT | SC6A4_HUMAN | SERT | SLC6A4 | Serotonin Transporter (SERT) | Serotonin transporter (5HTT) | Serotonin transporter protein (SERT) | Sodium-dependent serotonin transporter (SERT) | Solute carrier family 6 member 4
Type:
Multi-pass membrane protein
Mol. Mass.:
70322.51
Organism:
Homo sapiens (Human)
Description:
P31645
Residue:
630
Sequence:
METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIHRSKGLQDLGGISWQLALCIMLIFTVIYFSIWKGVKTSGKVVWVTATFPYIILSVLLVRGATLPGAWRGVLFYLKPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITCFFGSLVTLTFGGAYVVKLLEEYATGPAVLTVALIEAVAVSWFYGITQFCRDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPYWSIILGYCIGTSSFICIPTYIAYRLIITPGTFKERIIKSITPETPTEIPCGDIRLNAV
  
Inhibitor
Name:
BDBM50124566
Synonyms:
(R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morpholine | (S)-2-((S)-(2-ethoxyphenoxy)(phenyl)methyl)morpholine | 2-((2-ethoxyphenoxy)(phenyl)methyl)morpholine | 2-[(2-Ethoxy-phenoxy)-phenyl-methyl]-morpholine | 2-[2-ethoxyphenoxy(phenyl)methyl]-1,4-oxazinane | CHEMBL14370 | REBOXETINE | rac-syn-2-((2-ethoxyphenoxy)(phenyl)methyl)morpholine
Type:
Small organic molecule
Emp. Form.:
C19H23NO3
Mol. Mass.:
313.3908
SMILES:
CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: