Reaction Details  Report a problem with these data
Target
Sodium-dependent serotonin transporter
Ligand
BDBM160628
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
pH
7.5±n/a
Temperature
277.15±n/a K
IC50
4.7±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:
BDBM160628
Synonyms:
US9045468, 44
Type:
Small organic molecule
Emp. Form.:
C22H19Cl2N3O
Mol. Mass.:
412.312
SMILES:
Clc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(Oc3cnccn3)ccc21 |(2.08,4.77,;2.48,3.28,;1.39,2.19,;1.79,.71,;3.27,.31,;4.36,1.4,;3.96,2.88,;5.05,3.97,;3.67,-1.18,;5.17,-1.52,;5.84,-2.91,;5.17,-4.3,;4.81,-2.67,;3.27,-2.67,;3.67,-4.64,;2.47,-3.68,;1.13,-4.45,;-.2,-3.68,;-1.53,-4.45,;-2.87,-3.68,;-3.96,-4.77,;-5.44,-4.37,;-5.84,-2.88,;-4.75,-1.79,;-3.27,-2.19,;-.2,-2.14,;1.13,-1.37,;2.47,-2.14,)|
Structure:
Search PDB for entries with ligand similarity: