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Target
Sodium-dependent serotonin transporter
Ligand
BDBM50152958
Substrate
n/a
Meas. Tech.
ChEMBL_306337 (CHEMBL828157)
IC50
91±n/a nM
Citation
 Boy, KM; Dee, M; Yevich, J; Torrente, J; Gao, Q; Iben, L; Stark, A; Mattson, RJ Ligand conformation has a definitive effect on 5-HT1A and serotonin reuptake affinity. Bioorg Med Chem Lett 14:4467-70 (2004) [PubMed]  Article 
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:
BDBM50152958
Synonyms:
4-[4-(2-bromo-5-methoxybenzyl)hexahydro-1-pyrazinyl]spiro[cyclohexane-1,6''-(6'',8''-dihydro[1,3]dioxolo[5,4-e]isobenzofuran)]-8''-one | CHEMBL183550
Type:
Small organic molecule
Emp. Form.:
C27H30BrNO5
Mol. Mass.:
528.435
SMILES:
COc1ccc(Br)c(CC2CCN(CC2)[C@H]2CC[C@]3(CC2)OC(=O)c2c4OCOc4ccc32)c1 |wU:15.15,18.22,(9.17,.89,;7.68,.48,;7.47,-1.05,;8.7,-1.99,;8.49,-3.52,;7.07,-4.11,;6.87,-5.62,;5.86,-3.16,;4.44,-3.73,;3.2,-2.8,;1.78,-3.38,;.57,-2.43,;.78,-.91,;2.2,-.33,;3.41,-1.27,;-.44,.02,;-1.87,-.56,;-3.09,.37,;-2.88,1.91,;-1.46,2.5,;-.25,1.56,;-2.84,3.45,;-4.31,3.97,;-5.15,5.26,;-5.24,2.74,;-6.78,2.63,;-7.9,3.69,;-9.25,2.96,;-8.97,1.45,;-7.46,1.24,;-6.59,-.02,;-5.05,.09,;-4.36,1.47,;6.05,-1.63,)|
Structure:
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