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Target
Sodium-dependent serotonin transporter
Ligand
BDBM160629
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
pH
7.5±n/a
Temperature
277.15±n/a K
IC50
4.8±n/a nM
Comments
extracted
Citation
 Guzzo, PR; Liu, S; Ryan, KN; Molino, BF; DeOrazio, R; Olson, RE; Macor, JE 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin US Patent  US9045468 Publication Date 6/2/2015 
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:
BDBM160629
Synonyms:
US9045468, 45
Type:
Small organic molecule
Emp. Form.:
C23H18Cl2F3N3O
Mol. Mass.:
480.31
SMILES:
FC(F)(F)c1ccc(Oc2ccc3c(CN4CCC3(CC4)c3ccc(Cl)c(Cl)c3)c2)nn1 |(-7.69,-.67,;-6.35,-1.44,;-5.96,.05,;-7.69,-2.21,;-5.02,-2.21,;-5.02,-3.75,;-3.69,-4.52,;-2.35,-3.75,;-1.02,-4.52,;.31,-3.75,;.31,-2.21,;1.65,-1.44,;2.98,-2.21,;2.98,-3.75,;4.19,-4.71,;5.69,-4.36,;6.35,-2.98,;5.69,-1.59,;4.19,-1.24,;3.79,-2.73,;5.33,-2.73,;3.79,.24,;2.3,.64,;1.9,2.13,;2.99,3.22,;2.59,4.71,;4.48,2.82,;5.57,3.91,;4.88,1.33,;1.65,-4.52,;-2.35,-2.21,;-3.69,-1.44,)|
Structure:
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