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Target
Sodium-dependent serotonin transporter
Ligand
BDBM160600
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
pH
7.5±n/a
Temperature
277.15±n/a K
IC50
1.1±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:
BDBM160600
Synonyms:
US9045468, 14
Type:
Small organic molecule
Emp. Form.:
C23H20ClF2N3O
Mol. Mass.:
427.874
SMILES:
FC(F)Oc1ccc(nn1)-c1ccc2c(CN3CCC2(CC3)c2ccc(Cl)cc2)c1 |(-6.87,-4.24,;-5.54,-3.47,;-5.54,-1.93,;-4.2,-4.24,;-2.87,-3.47,;-1.49,-4.21,;-.15,-3.44,;-.15,-1.9,;-1.49,-1.13,;-2.82,-1.9,;1.18,-1.13,;1.18,.41,;2.51,1.18,;3.85,.41,;3.85,-1.13,;5.05,-2.09,;6.55,-1.75,;7.22,-.36,;6.55,1.02,;5.05,1.37,;4.65,-.12,;6.19,-.12,;4.65,2.85,;5.74,3.94,;5.34,5.43,;3.86,5.83,;3.46,7.32,;2.77,4.74,;3.17,3.25,;2.51,-1.9,)|
Structure:
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