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Target
Sodium-dependent serotonin transporter
Ligand
BDBM160608
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
pH
7.5±n/a
Temperature
277.15±n/a K
IC50
3.4±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:
BDBM160608
Synonyms:
US9045468, 22
Type:
Small organic molecule
Emp. Form.:
C25H23ClN2O2
Mol. Mass.:
418.915
SMILES:
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)C1=CC2OC(=O)NC2C=C1 |c:33,t:24,(3.21,5.77,;3.61,4.28,;5.1,3.88,;5.5,2.39,;4.41,1.3,;2.92,1.7,;2.52,3.19,;4.81,-.18,;6.31,-.53,;6.98,-1.92,;6.31,-3.3,;5.95,-1.67,;4.41,-1.67,;4.81,-3.65,;3.6,-2.69,;2.27,-3.46,;.94,-2.69,;.94,-1.15,;2.27,-.38,;3.6,-1.15,;-.4,-3.46,;-1.73,-2.69,;-3.07,-3.46,;-4.53,-2.98,;-5.44,-4.23,;-6.98,-4.23,;-4.53,-5.47,;-3.07,-5,;-1.73,-5.77,;-.4,-5,)|
Structure:
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