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Target
Sodium-dependent serotonin transporter
Ligand
BDBM160602
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
pH
7.5±n/a
Temperature
277.15±n/a K
IC50
7.3±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:
BDBM160602
Synonyms:
US9045468, 16
Type:
Small organic molecule
Emp. Form.:
C22H20ClN3
Mol. Mass.:
361.867
SMILES:
Clc1ccc(cc1)C12CCN(CC1)Cc1cc(ccc21)-c1cncnc1 |(1.26,5.77,;1.66,4.28,;3.14,3.88,;3.54,2.39,;2.45,1.3,;.97,1.7,;.57,3.19,;2.85,-.18,;4.35,-.53,;5.02,-1.92,;4.35,-3.3,;3.99,-1.67,;2.45,-1.67,;2.85,-3.65,;1.65,-2.69,;.31,-3.46,;-1.02,-2.69,;-1.02,-1.15,;.31,-.38,;1.65,-1.15,;-2.35,-3.46,;-2.35,-5,;-3.69,-5.77,;-5.02,-5,;-5.02,-3.46,;-3.69,-2.69,)|
Structure:
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